SCHEMBL4538668

SCHEMBL4538668

CC(C)=CCC/C(C)=C/COc1c2occc2cc2ccc(=O)oc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 1.00
ALOX15 P16050 7/20 1.00
TDP1 Q9NUW8 6/20 1.00
BACE1 P56817 5/20 1.00
KDM4E B2RXH2 5/20 1.00
ALDH1A1 P00352 4/20 1.00
HPGD P15428 3/20 1.00
ABCB1 P08183 2/20 0.81
CYP1B1 Q16678 2/20 0.81
GAA P10253 1/20 0.81
MAPT P10636 5/20 0.62
HSD17B10 Q99714 4/20 0.62
MAPK1 P28482 3/20 0.62
CYP2D6 P10635 3/20 0.62
CYP2C19 P33261 3/20 0.62
TSHR P16473 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2E1 P05181 1/20 0.62
CYP2B6 P20813 1/20 0.62
CYP3A5 P20815 1/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Pentosalen SCHEMBL29565922 0.90 CYP3A4 (1.00) CYP3A4ALOX15TDP1BACE1KDM4E
Pentosalen SCHEMBL50437 0.90 CYP3A4 (1.00) CYP3A4ALOX15TDP1BACE1KDM4E
Pentosalen SCHEMBL6267069 0.89 CYP3A4 (0.98) CYP3A4ALOX15TDP1BACE1KDM4E
Z-Trichoclin SCHEMBL19004128 0.87 CYP3A4 (0.80) CYP3A4ALOX15TDP1BACE1KDM4E
Collinin SCHEMBL29365336 0.78 ALOX15 (0.72) CYP3A4ALOX15TDP1BACE1KDM4E
SCHEMBL24994560 0.77 CYP3A4 (0.65) CYP3A4ALOX15TDP1BACE1KDM4E
SCHEMBL19346055 0.77 CYP3A4 (0.65) CYP3A4ALOX15TDP1BACE1KDM4E
SCHEMBL19331313 0.77 CYP3A4 (0.65) CYP3A4ALOX15TDP1BACE1KDM4E
SCHEMBL19345987 0.77 CYP3A4 (0.65) CYP3A4ALOX15TDP1BACE1KDM4E
SCHEMBL31232680 0.77 CYP3A4 (0.65) CYP3A4ALOX15TDP1BACE1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210015882-A1 Pharmaceutical composition for treating or alleviating an autoimmune disease and/or complication thereof and/or nephritis and method for treating or alleviating an autoimmune disease and/or complication thereof and/or nephritis INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2021-01-21 US claimed
US-10821148-B2 Pharmaceutical composition for treating or alleviating an autoimmune disease and/or complication thereof and/or nephritis and method for treating or alleviating an autoimmune disease and/or complication thereof and/or nephritis INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2020-11-03 US claimed
US-20170258865-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR ALLEVIATING AN AUTOIMMUNE DISEASE AND/OR COMPLICATION THEREOF AND/OR NEPHRITIS AND METHOD FOR TREATING OR ALLEVIATING AN AUTOIMMUNE DISEASE AND/OR COMPLICATION THEREOF AND/OR NEPHRITIS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-09-14 US claimed
CN-120392743-A Application of coumarin compound in preparation of procoagulant medicine 云南中医药大学 2025-08-01 CN disclosed
US-12371633-B2 Cold treatment SYMRISE AG (DE) 2025-07-29 US disclosed
CN-118403049-A Application of notopterol and analogues thereof in preparation of coronavirus 3CL protease inhibitor 陕西科技大学 2024-07-30 CN disclosed
CN-117740961-A Compound analysis method of liquorice and liquorice probiotics fermentation preparation 北京中医药大学 2024-03-22 CN disclosed
CN-114166961-B Method for measuring phenolic compounds in citrus juice product and pretreatment method thereof 西南大学 2022-11-22 CN disclosed
CN-106994145-B Pharmaceutical composition for treating or alleviating autoimmune diseases, complications thereof and/or nephritis and use of active ingredient thereof 财团法人工业技术研究院 2022-05-03 CN disclosed
US-20210122995-A1 COLD TREATMENT SYMRISE AG (DE) 2021-04-29 US disclosed
US-20210015882-A1 Pharmaceutical composition for treating or alleviating an autoimmune disease and/or complication thereof and/or nephritis and method for treating or alleviating an autoimmune disease and/or complication thereof and/or nephritis INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2021-01-21 US disclosed
WO-2019024983-A1 COLD TREATMENT SYMRISE AG (DE) 2019-02-07 WO disclosed
US-20170258865-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR ALLEVIATING AN AUTOIMMUNE DISEASE AND/OR COMPLICATION THEREOF AND/OR NEPHRITIS AND METHOD FOR TREATING OR ALLEVIATING AN AUTOIMMUNE DISEASE AND/OR COMPLICATION THEREOF AND/OR NEPHRITIS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-09-14 US disclosed
US-20170258865-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR ALLEVIATING AN AUTOIMMUNE DISEASE AND/OR COMPLICATION THEREOF AND/OR NEPHRITIS AND METHOD FOR TREATING OR ALLEVIATING AN AUTOIMMUNE DISEASE AND/OR COMPLICATION THEREOF AND/OR NEPHRITIS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-09-14 US disclosed
CN-106994145-A Pharmaceutical composition for treating or alleviating autoimmune diseases, complications thereof and/or nephritis and use of active ingredient thereof 财团法人工业技术研究院 2017-08-01 CN disclosed
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 CYP3A4 2764/4885ALOX15 207/4885TDP1 3182/4885
US-20170258865-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR ALLEVIATING AN AUTOIMMUNE DISEASE AND/OR COMPLICATION THEREOF AND/OR NEPHRITIS AND METHOD FOR TREATING OR ALLEVIATING AN AUTOIMMUNE DISEASE AND/OR COMPLICATION THEREOF AND/OR NEPHRITIS SSB, REN, RORC CYP3A4 3336/4885ALOX15 826/4885TDP1 4642/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 CYP3A4 2764/4885ALOX15 207/4885TDP1 3182/4885
US-10821148-B2 Pharmaceutical composition for treating or alleviating an autoimmune disease and/or complication thereof and/or nephritis and method for treating or alleviating an autoimmune disease and/or complication thereof and/or nephritis SSB, REN, RORC CYP3A4 3336/4885ALOX15 826/4885TDP1 4642/4885
US-20210015882-A1 Pharmaceutical composition for treating or alleviating an autoimmune disease and/or complication thereof and/or nephritis and method for treating or alleviating an autoimmune disease and/or complication thereof and/or nephritis SSB, REN, RORC CYP3A4 3336/4885ALOX15 826/4885TDP1 4642/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.