SCHEMBL524215

SCHEMBL524215

COc1cc(C=O)cc(Cl)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 11/20 0.50
TSHR P16473 1/20 0.50
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
CYP1A2 P05177 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
PKM P14618 1/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TRIM24 O15164 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46

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
SCHEMBL2391793 0.88 ALDH1A1 (0.46) KMT2AALDH1A1TSHRHPGDMAPT
SCHEMBL96635 0.86 ALDH1A1 (0.59) KMT2AALDH1A1TSHRHPGDMAPT
SCHEMBL16619850 0.86 ALDH1A1 (0.59) KMT2AALDH1A1TSHRHPGDMAPT
Hydrochloric Acid SCHEMBL23711567 0.84 ALDH1A1 (0.57) KMT2AALDH1A1TSHRHPGDMAPT
SCHEMBL4909672 0.82 ALDH1A1 (0.52) KMT2AALDH1A1TSHRHPGDMAPT
SCHEMBL13221149 0.82 ALDH1A1 (0.53) KMT2AALDH1A1HPGDMAPTTDP1
SCHEMBL19628274 0.81 ALDH1A1 (0.50) KMT2AALDH1A1TSHRHPGDMAPT
SCHEMBL15771884 0.81 ALDH1A1 (0.51) KMT2AALDH1A1HPGDMAPTTDP1
SCHEMBL4008475 0.81 TTR (0.60) KMT2AALDH1A1TSHRHPGDMAPT
SCHEMBL2650454 0.81 ALDH1A1 (0.48) KMT2AALDH1A1TSHRHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539249-B Podophyllotoxin derivative tubulin inhibitor, and preparation method and medical application thereof 中国药科大学 2024-01-26 CN disclosed
CN-114539249-A Podophyllotoxin derivative tubulin inhibitor and preparation method and medical application thereof 中国药科大学 2022-05-27 CN disclosed
EP-2544679-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2019-05-15 EP disclosed
EP-2544679-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2019-05-15 EP disclosed
US-10287226-B2 Mild catalytic reduction of C—O bonds and C═O bonds using a recyclable catalyst system ORGANOFUEL SWEDEN AB (SE) 2019-05-14 US disclosed
US-10106516-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2018-10-23 US disclosed
US-20170334819-A1 A MILD CATALYTIC REDUCTION OF C-O BONDS AND C=O BONDS USING A RECYCLABLE CATALYST SYSTEM ORGANOFUEL SWEDEN AB (SE) 2017-11-23 US disclosed
EP-2794620-B1 BODIPY STRUCTURE FLUORESCENCE PROBES FOR DIVERSE BIOLOGICAL APPLICATIONS NAT UNIV SINGAPORE (SG) 2017-11-15 EP disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US disclosed
US-6248743-B1 ANTITHROMBOTIC AGENTS EFFECTIVE TO INHIBIT THE PRODUCTION OF TYPE 1 PLASMINOGEN ACTIVATOR INHIBITOR (PAI-1) TANABE SEIYAKU CO., LTD. (JP) 2001-06-19 US disclosed
WO-2001034591-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-05-17 WO disclosed
CN-1214678-A Butadiene derivatives and process for preparing thereof TANABE SEIYAKU CO (JP) 1999-04-21 CN disclosed
EP-0889879-A1 BUTADIENE DERIVATIVES AND PROCESS FOR PREPARING THEREOF TANABE SEIYAKU CO., LTD. (JP) 1999-01-13 EP disclosed
WO-1997036864-A1 BUTADIENE DERIVATIVES AND PROCESS FOR PREPARING THEREOF TANABE SEIYAKU CO., LTD. (JP) 1997-10-09 WO disclosed
US-5446194-A Pharmacologically active catechol derivatives ORION-YHTYMA OY (FI) 1995-08-29 US disclosed
US-5283352-A Transferase inhibitor ORION-YHTYMA OY (FI) 1994-02-01 US disclosed
US-5112861-A Inhibitors of catechol-methyl-transferase enzyme, levodopa ORION-YHTYMA OY (FI) 1992-05-12 US disclosed
EP-0346367-A1 ARYL- AND ARYLOXY-SUBSTITUTED TERT.-ALKYLENAMINES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE IN PHARMACY SCHERING AKTIENGESELLSCHAFT (DE) 1989-12-20 EP disclosed
WO-1988006580-A1 ARYL- AND ARYLOXY-SUBSTITUTED TERT.-ALKYLENAMINES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE IN PHARMACY SCHERING AKTIENGESELLSCHAFT (DE) 1988-09-07 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 (4 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-10106516-B2 PDE10 inhibitors and related compositions and methods PDE10A, PDE9A, PDE7A KMT2A 2449/4885ALDH1A1 2053/4885TSHR 2134/4885
US-20170334819-A1 A MILD CATALYTIC REDUCTION OF C-O BONDS AND C=O BONDS USING A RECYCLABLE CATALYST SYSTEM CBR1, ADH1C, AOC2 KMT2A 943/4885ALDH1A1 198/4885TSHR 4190/4885
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A KMT2A 2449/4885ALDH1A1 2053/4885TSHR 2134/4885
US-10287226-B2 Mild catalytic reduction of C—O bonds and C═O bonds using a recyclable catalyst system CBR1, ADH1C, CBR3 KMT2A 804/4885ALDH1A1 230/4885TSHR 4092/4885

“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.