SCHEMBL96112

SCHEMBL96112

[CH2]Cc1cccc(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.60
IDO1 P14902 2/20 0.60
AGXT P21549 2/20 0.60
CHRM2 P08172 3/20 0.56
CHRM1 P11229 2/20 0.56
CHRM3 P20309 2/20 0.56
CMA1 P23946 1/20 0.55
MAOB P27338 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
AOC3 Q16853 1/20 0.53
LPO P22079 1/20 0.51
ACHE P22303 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
SCHEMBL6195503 0.87 SMN1; SMN2 (0.60) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL5315445 0.83 TAAR1 (0.67) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL1145614 0.83 TAAR1 (0.60) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL30080050 0.82 TAAR1 (0.77) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL2099512 0.82 CHRM2 (0.66) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL723511 0.82 TAAR1 (0.77) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL3156159 0.80 IDO1 (0.62) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL7323232 0.80 MAOB (0.43) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL3689085 0.80 CHRM2 (0.63) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL29908907 0.80 TAAR1 (0.62) TAAR1IDO1AGXTCHRM2CHRM1

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 1549 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207253-A1 Inhibitors of CDR1 for Reversal of Azole Drug Resistance in Fungal Infections THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2024-06-27 US claimed
WO-2023222644-A1 PYRAZOLE DERIVATIVES AS STING AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2023-11-23 WO claimed
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US claimed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US claimed
EP-4185564-A1 TRICYCLIC HETEROCYCLES Merck Patent GmbH (DE) 2023-05-31 EP claimed
CN-116134016-A Tricyclic heterocycles 默克专利股份公司 2023-05-16 CN claimed
WO-2023078813-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS MERCK PATENT GMBH (DE) 2023-05-11 WO claimed
EP-4146652-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS Merck Patent GmbH (DE) 2023-03-15 EP claimed
CN-115515959-A Tricyclic heterocycles as TEAD binders 默克专利股份公司 2022-12-23 CN claimed
WO-2022245951-A1 INHIBITORS OF CDR1 FOR REVERSAL OF AZOLE DRUG RESISTANCE IN FUNGAL INFECTIONS UNM RAINFOREST INNOVATIONS (US) 2022-11-24 WO claimed
WO-1997042205-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-11-13 WO claimed
US-5677324-A MUSCLE RELAXANTS PFIZER INC. (US) 1997-10-14 US claimed
EP-0634998-B1 HYDROXAMIC ACID BASED COLLAGENASE AND CYTOKINE INHIBITORS BRITISH BIOTECH PHARM (GB) 1997-03-19 EP claimed
EP-0690855-B1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LTD (GB) 1996-12-18 EP claimed
CN-1119014-A Benzopyranes as potassium channel openers PFIZER LTD (GB) 1996-03-20 CN claimed
EP-0690855-A1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LTD (GB) 1996-01-10 EP claimed
WO-1994020491-A1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LIMITED (GB) 1994-09-15 WO claimed
EP-0300865-B1 DERIVATIVES OF N-AMINOBUTYL-N-PHENYL ARYL AMIDES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SYNTHELABO (FR) 1992-03-18 EP claimed
EP-0251194-A1 Use of carbocyclic and heterocyclic condensed dihydropyridines for the preparation of cardioprotective remedies and heterocyclic and carbocyclic condensed dihydropyridines and methods and intermediates for their preparation BOEHRINGER INGELHEIM KG (DE) 1988-01-07 EP claimed
US-4102929-A Asymmetric synthesis of organic compounds HOFFMANN-LA ROCHE INC. (US) 1978-07-25 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 TAAR1 3949/4885IDO1 3982/4885AGXT 3334/4885
US-20240207253-A1 Inhibitors of CDR1 for Reversal of Azole Drug Resistance in Fungal Infections ABCC1, ABCC2, ERG28 TAAR1 3116/4885IDO1 1065/4885AGXT 2488/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP TAAR1 3665/4885IDO1 3847/4885AGXT 3336/4885

“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.