SCHEMBL5020197

SCHEMBL5020197

CC(C)C(=O)c1ccc2cc(O)c(O)cc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
GAA P10253 2/20 0.69
DBH P09172 1/20 0.69
RECQL P46063 1/20 0.69
LCK P06239 1/20 0.58
ALDH1A1 P00352 1/20 0.43
FFAR1 O14842 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CYP2A6 P11509 1/20 0.39
HSD17B14 Q9BPX1 1/20 0.38
HTR1B P28222 2/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37

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
SCHEMBL12418686 0.90 KDM4E (0.63) KDM4EGAADBHRECQLLCK
SCHEMBL12317627 0.85 KDM4E (0.58) KDM4EGAADBHRECQLLCK
SCHEMBL16811768 0.85 ALDH1A1 (0.54) KDM4EGAADBHRECQLALDH1A1
SCHEMBL8745697 0.85 KDM4E (0.53) KDM4EGAADBHRECQLLCK
SCHEMBL19090508 0.82 KDM4E (0.55) KDM4EGAADBHRECQLALDH1A1
SCHEMBL759389 0.82 CES2 (0.61) KDM4EGAADBHRECQLALDH1A1
SCHEMBL8471397 0.82 KDM4E (1.00) KDM4EGAADBHRECQLFFAR1
SCHEMBL15850532 0.82 KDM4E (0.47) KDM4EGAADBHRECQLLCK
SCHEMBL3260971 0.81 CYP2A6 (0.56) KDM4EGAADBHRECQLALDH1A1
SCHEMBL4025692 0.80 KDM4E (0.49) KDM4EGAADBHRECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220387394-A1 METHODS OF TREATING CANCER USING ANDROGEN RECEPTOR ANTAGONISTS GARVAN INSTITUTE OF MEDICAL RES (AU) 2022-12-08 US disclosed
US-20210292410-A1 TREATMENT PARADIGM FOR AN ANTI-CD19 ANTIBODY AND VENETOCLAX COMBINATION TREATMENT INCYTE CORPORATION 2021-09-23 US disclosed
US-20210154209-A1 COMPOSITIONS FOR TREATMENT OF BREAST AND PROSTATE CANCER KEMBI THERAPEUTICS PTY LTD (AU) 2021-05-27 US disclosed
WO-2019182743-A1 COMPOSITIONS FOR THE TREATMENT OF BRAIN TUMORS INNOCRIN PHARMACEUTICALS, INC. (US) 2019-09-26 WO disclosed
WO-2019113301-A1 COMPOSITIONS FOR THE TREATMENT OF BREAST AND PROSTATE CANCER INNOCRIN PHARMACEUTICALS, INC. (US) 2019-06-13 WO disclosed
WO-2019113312-A1 ANTICANCER COMPOUND PROCESS INNOCRIN PHARMACEUTICALS, INC. (US) 2019-06-13 WO disclosed
EP-3483147-A1 METALLOENZYME INHIBITOR COMPOUNDS Innocrin Pharmaceuticals, Inc. (US) 2019-05-15 EP disclosed
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2018-08-09 US disclosed
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-20120309800-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-12-06 US disclosed
US-20120309800-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-12-06 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
WO-2012064943-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
WO-2011082245-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2011-07-07 WO disclosed
US-6903114-B2 Derivatives of naphthalene with COMT inhibiting activity ORION CORPORATION (FI) 2005-06-07 US disclosed
US-20040034011-A1 Derivatives of naphthalene with comt inhibiting activity ORION CORPORATION (FI) 2004-02-19 US disclosed
EP-1317411-A1 DERIVATIVES OF NAPHTHALENE WITH COMT INHIBITING ACTIVITY ORION CORPORATION (FI) 2003-06-11 EP disclosed
WO-2002022551-A1 DERIVATIVES OF NAPHTHALENE WITH COMT INHIBITING ACTIVITY ORION CORPORATION (FI) 2002-03-21 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 (8 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-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KDM4E 3322/4885GAA 6/4885DBH 598/4885
US-20040034011-A1 Derivatives of naphthalene with comt inhibiting activity COMT, CYP1A1, CYP1B1 KDM4E 2965/4885GAA 201/4885DBH 119/4885
US-20210292410-A1 TREATMENT PARADIGM FOR AN ANTI-CD19 ANTIBODY AND VENETOCLAX COMBINATION TREATMENT CD22, MLLT1, BTK KDM4E 221/4885GAA 2360/4885DBH 1044/4885
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KDM4E 3322/4885GAA 6/4885DBH 598/4885
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KDM4E 3322/4885GAA 6/4885DBH 598/4885
US-20210154209-A1 COMPOSITIONS FOR TREATMENT OF BREAST AND PROSTATE CANCER SHBG, NR5A1, KLK3 KDM4E 1156/4885GAA 3115/4885DBH 1740/4885
US-20120309800-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KDM4E 3322/4885GAA 6/4885DBH 598/4885
US-20220387394-A1 METHODS OF TREATING CANCER USING ANDROGEN RECEPTOR ANTAGONISTS AR, GNRHR, KLK3 KDM4E 2706/4885GAA 2348/4885DBH 1945/4885

“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.