SCHEMBL3677762

SCHEMBL3677762

COc1cc(OC)c(OC)cc1C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
ACHE P22303 2/20 0.48
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
HMGCR P04035 1/20 0.42

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
SCHEMBL2954181 0.94 TAAR1 (0.56) TAAR1ACHEMAPTALDH1A1CYP3A4
SCHEMBL12330214 0.90 TAAR1 (0.48) TAAR1ACHEMAPTALDH1A1CYP3A4
SCHEMBL8269049 0.88 TAAR1 (0.52) TAAR1ACHEMAPTALDH1A1KDM4E
SCHEMBL1912056 0.87 ACHE (0.52) TAAR1ACHEMAPTALDH1A1CYP3A4
SCHEMBL1276533 0.83 CYP3A4 (0.59) ACHEMAPTALDH1A1CYP3A4KDM4E
SCHEMBL3873431 0.82 MAPT (0.47) TAAR1ACHEMAPTALDH1A1CYP3A4
SCHEMBL14507701 0.82 TAAR1 (0.48) TAAR1ACHEMAPTALDH1A1KDM4E
SCHEMBL12326171 0.82 TAAR1 (0.48) TAAR1ACHEMAPTALDH1A1KDM4E
SCHEMBL3480776 0.82 TAAR1 (0.39) TAAR1ACHEMAPTALDH1A1CYP3A4
Ethylamine SCHEMBL6314624 0.80 TAAR1 (0.63) TAAR1MAPTALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022260163-A1 COMPOUND OR SALT THEREOF AND PHOTOSENSITIZER 国立大学法人長崎大学 2022-12-15 WO disclosed
US-10442779-B2 Compositions and methods for treating Friedreich's ataxia FRATAGENE THERAPEUTICS S.R.L. (IT) 2019-10-15 US disclosed
EP-2203161-B1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIV INDIANA RES & TECH CORP (US) 2018-05-09 EP disclosed
US-9957214-B2 Multifunctional radical quenchers ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-05-01 US disclosed
US-9744186-B2 Substituted gemcitabine aryl amide analogs NUCORION PHARMACEUTICALS, INC. (US) 2017-08-29 US disclosed
WO-2017007612-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-01-12 WO disclosed
US-20160354399-A1 SUBSTITUTED GEMCITABINE ARYL AMIDE ANALOGS THE OHIO STATE UNIVERSITY 2016-12-08 US disclosed
US-9447137-B2 Substituted gemcitabine aryl amide analogs NUCORION PHARMACEUTICALS, INC. (US) 2016-09-20 US disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 US disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 US disclosed
US-7381842-B2 Oxime ester photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-06-03 US disclosed
US-7381842-B2 Oxime ester photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-06-03 US disclosed
US-7348032-B2 Method for extracting antineoplastic components from Bupleurum scorzonerifolium BUDDHIST TZU CHI GENERAL HOSPITAL (TW) 2008-03-25 US disclosed
US-7348032-B2 Method for extracting antineoplastic components from Bupleurum scorzonerifolium BUDDHIST TZU CHI GENERAL HOSPITAL (TW) 2008-03-25 US disclosed
US-20070299073-A1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2007-12-27 US disclosed
WO-2007144785-A2 RYANODINE RECEPTOR INHIBITORS AND METHODS RELATING THERETO UTI LIMITED PARTNERSHIP (US) 2007-12-21 WO disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 TAAR1 3870/4885ACHE 3198/4885MAPT 4163/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD TAAR1 2064/4885ACHE 2568/4885MAPT 2178/4885
US-20070299073-A1 Imidazolyl derivatives SSTR5, SSTR3, SSTR2 TAAR1 111/4885ACHE 3962/4885MAPT 4712/4885
US-10442779-B2 Compositions and methods for treating Friedreich's ataxia ATXN10, ATXN2, ATXN2L TAAR1 4814/4885ACHE 263/4885MAPT 652/4885
US-20160354399-A1 SUBSTITUTED GEMCITABINE ARYL AMIDE ANALOGS KRAS, NRAS, GMNN TAAR1 2659/4885ACHE 3445/4885MAPT 3845/4885

“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.