SCHEMBL7930508

SCHEMBL7930508

Cc1ccccc1SC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
TSHR P16473 1/20 0.43
HAO1 Q9UJM8 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HTR1A P08908 2/20 0.34
HTR3A P46098 2/20 0.34
AR P10275 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AOC3 Q16853 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CYP2A6 P11509 2/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL6934720 0.84 AOC3 (0.37) ACHETSHRALDH1A1HSD17B10TDP1
SCHEMBL476656 0.78 ACHE (0.41) ACHETSHRHAO1CA1CA2
SCHEMBL24181750 0.78 CA1 (0.36) ACHETSHRCA1CA2CA7
SCHEMBL9772142 0.78 ALDH1A1 (0.52) ACHETSHRCA1CA2CA7
SCHEMBL7189127 0.75 CETP (0.34) CA1CA2CA7CA9ALDH1A1
SCHEMBL5726889 0.74 SLC22A12 (0.50)
SCHEMBL10294028 0.73 ALOX5AP (0.39) ACHEHAO1ALDH1A1ARAOC3
SCHEMBL7111480 0.73 LMNA (0.41) TSHRHAO1ALDH1A1TDP1ATM
SCHEMBL6863388 0.73 KMT2A (0.54) TSHRALDH1A1HSD17B10CYP3A4TDP1
SCHEMBL24198840 0.73 TDP1 (0.44) TSHRCA2ALDH1A1TDP1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938253-B2 Catalysts for efficient Z-selective metathesis TRUSTEES OF BOSTON COLLEGE (US) 2018-04-10 US disclosed
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 US disclosed
US-20070179150-A1 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2007-08-02 US disclosed
US-7211590-B2 Nitrosated proton pump inhibitors, compositions and methods of use NITROMED, INC. (US) 2007-05-01 US disclosed
EP-0452786-B1 Process for making multilayer coatings DU PONT (US) 2001-01-31 EP disclosed
US-5880209-A POLYESTERURETHANE COPOLYMERS WITH NEUTRALIZED ACID GROUPS HERBERTS GMBH (DE) 1999-03-09 US disclosed
US-5721018-A Method for producing multilayer coatings HERBERTS GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-02-24 US disclosed
US-5569705-A POLYURETHANE RESINS HAVING INTRODUCED DOUBLE BONDS; AUTOMOBILE LACQUERS HERBERTS GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-10-29 US disclosed
US-5552227-A AUTOMOBILES HERBERTS GMBH (DE) 1996-09-03 US disclosed
EP-0538719-B1 Process for making multilayers coating HERBERTS & CO GMBH (DE) 1996-04-10 EP disclosed
EP-0261385-B1 VEHICLE COMBINATION CURABLE BY CURING AGENTS, FOR USE IN AQUEOUS DILUTABLE COATINGS, CATHODICALLY DEPOSITABLE ELECTROPHORETIC COATING COMPOSITIONS, AND THEIR USE Herberts Gesellschaft mit beschränkter Haftung (DE) 1992-04-15 EP disclosed
EP-0452786-A2 Process for making multilayer coatings Herberts Gesellschaft mit beschränkter Haftung (DE) 1991-10-23 EP disclosed
EP-0438090-A1 Binder composition for the preparation of pigment pastes and aqueous coating compositions containing these pigment pastes Herberts Gesellschaft mit beschränkter Haftung (DE) 1991-07-24 EP disclosed
US-4909915-A Water dilutable poly (meth)acrylate containing ionic groups HERBERTS GESELLSCHAFT MIT BESCHRANKTER (DE) 1990-03-20 US disclosed
US-4880867-A Aqueous coating compositions, a process for their preparation and method of using the same 501 HERBERTS GESELLSCHAFT MIT BESCHRANKTER (DE) 1989-11-14 US disclosed
US-4865705-A Non-auto crosslinking binder combination, aqueous coating compound containing the same and its use HERBERTS GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-09-12 US disclosed
US-4865704-A HYDROXYL GROUP, AMINO GROUP CONTINING EPOXIDE RESIN, AND AMINO GROUP POLYMER BLEND HERBERTS GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-09-12 US disclosed
EP-0261385-A2 Vehicle combination curable by curing agents, for use in aqueous dilutable coatings, cathodically depositable electrophoretic coating compositions, and their use Herberts Gesellschaft mit beschränkter Haftung (DE) 1988-03-30 EP disclosed
EP-0260447-A2 Aqueous coating composition, process for its preparation and its use Herberts Gesellschaft mit beschränkter Haftung (DE) 1988-03-23 EP disclosed
EP-0256540-A2 Aqueous coating, process for its preparation and its use Herberts Gesellschaft mit beschränkter Haftung (DE) 1988-02-24 EP 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 (2 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-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CYP3A5, CYP11B2, ABCB1 ACHE 2157/4885TSHR 129/4885HAO1 4680/4885
US-20070179150-A1 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NOS1, PTGS1, NOS2 ACHE 964/4885TSHR 3008/4885HAO1 185/4885

“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.