SCHEMBL1144940

SCHEMBL1144940

COc1ccc2c(C)n[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
DYRK1A Q13627 6/20 0.50
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
HPGD P15428 2/20 0.50
MAOA P21397 2/20 0.50
ACHE P22303 2/20 0.50
HTR2C P28335 2/20 0.50
HTR7 P34969 2/20 0.50
HTR6 P50406 2/20 0.50
DYRK3 O43781 1/20 0.50
CCNT1 O60563 1/20 0.50
CCNB2 O95067 1/20 0.50
CYP1A2 P05177 1/20 0.50
CDK1 P06493 1/20 0.50
ADRA2A P08913 1/20 0.50
CCNB1 P14635 1/20 0.50
ADRA2B P18089 1/20 0.50

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
SCHEMBL29919843 1.00 KDM4E (0.50) KDM4EDYRK1AALDH1A1HSD17B10CYP3A4
Formic Acid SCHEMBL29919771 0.91 KDM4E (0.47) KDM4EDYRK1AALDH1A1HSD17B10CYP3A4
SCHEMBL1043754 0.85 DYRK1A (0.56) KDM4EDYRK1AALDH1A1HSD17B10HPGD
SCHEMBL627808 0.81 PDPK1 (0.55) KDM4EDYRK1AALDH1A1HSD17B10CYP3A4
SCHEMBL31032738 0.81 PDPK1 (0.55) KDM4EDYRK1AALDH1A1HSD17B10CYP3A4
SCHEMBL27805303 0.81 KDR (0.47) ALDH1A1SMN1; SMN2ITKMAPTMEN1
SCHEMBL6360732 0.80 DYRK1A (0.51) KDM4EDYRK1AALDH1A1HSD17B10CYP3A4
SCHEMBL28264393 0.80 ITK (0.47) KDM4EDYRK1AALDH1A1HSD17B10CYP3A4
SCHEMBL15792074 0.80 ITK (0.47) KDM4EDYRK1AALDH1A1HSD17B10CYP3A4
SCHEMBL6361114 0.80 ITK (0.50) KDM4EDYRK1AALDH1A1HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163189-A1 RAFT AGENT FOR PHOTO-CONTROLLED POLYMERIZATION, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF SHANDONG UNIVERSITY (CN) 2025-05-22 US disclosed
CN-117402143-A EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2024-01-16 CN disclosed
CN-117069700-A EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-11-17 CN disclosed
CN-117050062-A EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-11-14 CN disclosed
US-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-10-05 US disclosed
CN-111187221-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-09-26 CN disclosed
CN-111171000-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-09-01 CN disclosed
CN-111170999-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-06-30 CN disclosed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
EP-4036094-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE The Trustees of Columbia University in the City of New York (US) 2022-08-03 EP disclosed
US-6800645-B1 INHIBIT PRODUCTION OR PHYSIOLOGICAL EFFECTS OF TNF, INHIBIT CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LIMITED (GB) 2004-10-05 US disclosed
WO-2004043933-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2004-05-27 WO disclosed
WO-2004043932-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2004-05-27 WO disclosed
US-20040097575-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME LLC 2004-05-20 US disclosed
US-6552062-B1 For therapy of central nervous system disorders; damage to the central nervous system; cardiovascular disorders; gastrointestinal disorders; diabetes insipidus, and sleep apnea, and obesity VERNALIS RESEARCH LIMITED (GB) 2003-04-22 US disclosed
US-20020173527-A1 Substituted azabicyclic compounds ASTLES PETER CHARLES (GB) 2002-11-21 US disclosed
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP disclosed
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 WO disclosed
US-3988492-A Pressure sensitive copy paper employing pyrazoloxanthene compounds THE MEAD CORPORATION (US) 1976-10-26 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-20020173527-A1 Substituted azabicyclic compounds CBR1, NOX1, POR KDM4E 3056/4885DYRK1A 4302/4885ALDH1A1 375/4885
US-20250163189-A1 RAFT AGENT FOR PHOTO-CONTROLLED POLYMERIZATION, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF WASF2, RFTN1, WEE2 KDM4E 3124/4885DYRK1A 4609/4885ALDH1A1 235/4885
US-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 KDM4E 1520/4885DYRK1A 2218/4885ALDH1A1 3360/4885
US-20040097575-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNJ11, KCNN1 KDM4E 1362/4885DYRK1A 4545/4885ALDH1A1 938/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN KDM4E 1590/4885DYRK1A 4862/4885ALDH1A1 649/4885

“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.