SCHEMBL261036

SCHEMBL261036

Cc1cc(F)c(C)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
GPR3 P46089 1/20 0.39
DAO P14920 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RAPGEF4 Q8WZA2 3/20 0.35
NISCH Q9Y2I1 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
PTGS2 P35354 1/20 0.30
CYP3A4 P08684 2/20 0.30
TSHR P16473 2/20 0.30
SELL P14151 1/20 0.30
SELP P16109 1/20 0.30
SELE P16581 1/20 0.30
MAPK1 P28482 1/20 0.30
KDM1A O60341 1/20 0.30
KDM1B Q8NB78 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1057045 0.93 CYP3A4 (0.40) ACHEGPR3DAOHDAC1HDAC6
SCHEMBL30166047 0.93 CYP3A4 (0.40) ACHEGPR3DAOHDAC1HDAC6
SCHEMBL18867947 0.93 CYP3A4 (0.40) ACHEGPR3DAOHDAC1HDAC6
SCHEMBL823783 0.93 ACHE (0.38) ACHEGPR3DAOHDAC1HDAC6
Hydrochloric Acid SCHEMBL29178225 0.89 ACHE (0.36) ACHEGPR3DAOHDAC1HDAC6
Bromide SCHEMBL28031443 0.89 ACHE (0.36) ACHEGPR3DAOHDAC1HDAC6
SCHEMBL10147311 0.88 ACHE (0.40) ACHEGPR3DAOHDAC1HDAC6
SCHEMBL24710388 0.87 GPR3 (0.43) ACHEGPR3DAOHDAC1HDAC6
Methyl Alcohol SCHEMBL28273171 0.87 DAO (0.36) ACHEGPR3DAOHDAC1HDAC6
SCHEMBL30867032 0.83 ACHE (0.42) ACHEHDAC1HDAC6RAPGEF4PTGS2

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 1698 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
WO-2024026433-A2 NOVEL DPP1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2024-02-01 WO disclosed
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
EP-3630896-B1 ELECTRONIC AND OPTOELECTRONIC DEVICES HAVING ANISOTROPIC PROPERTIES AND METHOD FOR THEIR PRODUCTION INNOVATIONLAB GMBH (DE) 2023-11-29 EP disclosed
US-20230313043-A1 OPTICAL COMPONENT MERCK PATENT GMBH (DE) 2023-10-05 US disclosed
US-20230313043-A1 OPTICAL COMPONENT MERCK PATENT GMBH (DE) 2023-10-05 US disclosed
WO-2023177667-A1 THYROID HORMONE RECEPTOR AGONISTS BRII BIOSCIENCES, INC. (US) 2023-09-21 WO disclosed
US-11739265-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-08-29 US disclosed
US-20070018136-A1 Liquid crystal composition and liquid crystal display device CHISSO CORPORATION 2007-01-25 US disclosed
US-20070018136-A1 Liquid crystal composition and liquid crystal display device CHISSO CORPORATION 2007-01-25 US disclosed
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. 2007-01-25 US disclosed
US-7157124-B2 Polymerizable compounds and their polymers CHISSO PETROCHEMICAL CORPORATION (JP) 2007-01-02 US disclosed
US-7157124-B2 Polymerizable compounds and their polymers CHISSO PETROCHEMICAL CORPORATION (JP) 2007-01-02 US disclosed
US-20040191602-A1 Crosslinkable aromatic resin having protonic acid group, and ion conductive polymer membrane, binder and fuel cell using the resin MITSUI CHEMICALS, INC. (JP) 2004-09-30 US disclosed
EP-1457511-A1 CROSSLINKABLE AROMATIC RESINS HAVING PROTONIC ACID GROUPS AND ION CONDUCTIVE POLYMER MEMBRANES BINDERS AND FUEL CELLS MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-09-15 EP disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-6034206-A POLYANILINES; HEAT, CHEMICAL AND SOLVENT RESISTANCE TOSOH CORPORATION (JP) 2000-03-07 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 (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-20240072425-A1 AROMATIC ISOTHIOCYANATES TRPA1, TRPC1, CRY1 ACHE 1877/4885GPR3 1121/4885DAO 4601/4885
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility F2, TFPI, PLG ACHE 2179/4885GPR3 2819/4885DAO 1048/4885
US-11739265-B2 Aromatic isothiocyanates TRPA1, CRY1, FOXM1 ACHE 1319/4885GPR3 2209/4885DAO 4245/4885

“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.