SCHEMBL7376159

SCHEMBL7376159

Cc1cc(C)c(C(=O)O)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
APEX1 P27695 1/20 0.45
NQO1 P15559 1/20 0.44
MCL1 Q07820 4/20 0.41
GPR35 Q9HC97 1/20 0.41
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 4/20 0.38
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TPMT P51580 1/20 0.36
MAPT P10636 2/20 0.35
DAO P14920 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35

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
SCHEMBL9590560 0.81 KMT2A (0.39) KMT2AMEN1NQO1KDM4EGLA
SCHEMBL6942194 0.81 KMT2A (0.59) KMT2AMEN1APEX1MCL1GPR35
SCHEMBL2866022 0.79 MAPT (0.42) KMT2AMEN1APEX1GPR35KDM4E
SCHEMBL21313108 0.79 GPR35 (0.48) KMT2AMEN1NQO1MCL1GPR35
SCHEMBL15349677 0.79 KMT2A (0.57) KMT2AMEN1APEX1MCL1GPR35
SCHEMBL8587349 0.79 POLB (0.39) KMT2AMEN1NQO1KDM4EGLA
SCHEMBL28443819 0.79 KMT2A (0.57) KMT2AMEN1APEX1MCL1GPR35
SCHEMBL4367459 0.77 KMT2A (0.55) KMT2AMEN1APEX1MCL1GPR35
SCHEMBL9310899 0.77 KMT2A (0.55) KMT2AMEN1APEX1MCL1GPR35
SCHEMBL12559174 0.77 KMT2A (0.41) KMT2AMEN1APEX1NQO1MCL1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200139163-A1 Compositions For Removing Surface Coatings PALMER JAKE (US) 2020-05-07 US claimed
EP-4326702-A1 METHODS FOR SYNTHESIS OF AN ADVANTAGEOUS N-HETEROCYCLIC CARBENE CATALYST XF Technologies Inc. (US) 2024-02-28 EP disclosed
US-20240059701-A1 Methods for Synthesis of an Advantageous N-Heterocyclic Carbene Catalyst XF BIOSOLUTIONS, LLC 2024-02-22 US disclosed
CN-117529466-A Method for synthesizing favorable N-heterocyclic carbene catalyst 埃克斯福科技公司 2024-02-06 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2022225825-A1 METHODS FOR SYNTHESIS OF AN ADVANTAGEOUS N-HETEROCYCLIC CARBENE CATALYST XF TECHNOLOGIES INC. (US) 2022-10-27 WO disclosed
US-20220017524-A1 ARYL HYDROCARBON RECEPTOR (AHR) ACTIVATOR COMPOUNDS AS CANCER THERAPEUTICS THE BROAD INSTITUTE, INC. (US) 2022-01-20 US disclosed
CN-111655372-A Catalysts containing furans and use thereof in hydrotreating and/or hydrocracking processes IFP 新能源公司 2020-09-11 CN disclosed
US-5849693-A Cyclic compounds linked by a heterocyclic ring useful as inhibitors of platelet glycoprotein IIb/IIIa THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed
US-5773411-A CARDIOVASCULAR DISORDERS AND BRAIN DISORDERS AND COAGULANTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-30 US disclosed
US-5691329-A Compounds containing basic and acidic termini useful as fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-25 US disclosed
US-5563158-A CARDIOVASCULAR DISORDERS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-08 US disclosed
EP-0672059-A1 CYCLIC COMPOUNDS LINKED BY A HETEROCYCLIC RING USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-09-20 EP disclosed
WO-1995018111-A1 COMPOUNDS CONTAINING BASIC AND ACIDIC TERMINI USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-06 WO disclosed
WO-1994011398-A1 CYCLIC COMPOUNDS LINKED BY A HETEROCYCLIC RING USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-05-26 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 (1 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-20220017524-A1 ARYL HYDROCARBON RECEPTOR (AHR) ACTIVATOR COMPOUNDS AS CANCER THERAPEUTICS AHR, ESRRA, AR KMT2A 1057/4885MEN1 1705/4885APEX1 1663/4885

“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.