SCHEMBL287112

SCHEMBL287112

CCCCC[CH]C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.43
THRB P10828 1/20 0.39
FAAH O00519 2/20 0.39
TRPV1 Q8NER1 2/20 0.39
DNM1 Q05193 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
APEX1 P27695 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EP300 Q09472 1/20 0.34

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
SCHEMBL9214895 0.97 TSHR (0.48) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL9210803 0.97 TSHR (0.48) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL11609820 0.97 TSHR (0.48) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL7391537 0.97 TSHR (0.48) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL2287725 0.97 TSHR (0.48) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL2723911 0.97 TSHR (0.48) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL9202867 0.97 TSHR (0.48) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL8714667 0.97 TSHR (0.48) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL9211158 0.97 TSHR (0.48) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL28289397 0.97 TSHR (0.48) TSHRTHRBFAAHTRPV1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427430-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS The Royal Institution for the Advancement of Learning / McGill University (CA) 2012-03-14 EP claimed
WO-2010127452-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2010-11-11 WO claimed
US-20050101772-A1 Non-metallocenes, method for the production thereof and the use thereof for the polymerisation of olefins CELANESE VENTURES GMBH (DE) 2005-05-12 US claimed
US-6277537-B1 PHENOLIC COMPOUND EASTMAN KODAK COMPANY 2001-08-21 US claimed
US-5512410-A Heat image separation with phenolic thermal solvents and dye releasing couplers EASTMAN KODAK COMPANY (US) 1996-04-30 US claimed
CN-116472174-A Laminated film for decoration molding, method for producing the film, and decoration molded article 东洋油墨SC控股株式会社 2023-07-21 CN disclosed
CN-114874247-A Boron-nitrogen compound and organic electronic device comprising same 广州追光科技有限公司 2022-08-09 CN disclosed
CN-114751941-A Binuclear iridium complex and organic electronic device containing same 广州追光科技有限公司 2022-07-15 CN disclosed
CN-114751940-A Binuclear iridium complex of pyrazole auxiliary ligand and application thereof 广州追光科技有限公司 2022-07-15 CN disclosed
CN-110177822-B Synthesis of polycarbonate siloxane diol 奥特克国际公开有限公司 2022-06-14 CN disclosed
CN-114539273-A Novel heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2022-05-27 CN disclosed
US-20220026803-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-01-27 US disclosed
US-4146540-A Pyrazole compounds as stabilizers for organic materials SANDOZ LTD. (CH) 1979-03-27 US disclosed
US-4107138-A Phosphonous and thiophosphonous acid ethers as stabilizers for organic materials SANDOZ LTD. (CH) 1978-08-15 US disclosed
US-4101326-A Process for making stabilized polyesters used in radiation-sensitive compositions for lithographic plates having improved wear life including hindered phenols and phosphoric acid esters EASTMAN KODAK COMPANY (US) 1978-07-18 US disclosed
US-4008200-A Method of stabilizing organic materials employing pyrazole compounds and stabilized compositions thereof SANDOZ LTD. (CH) 1977-02-15 US disclosed
US-3987097-A INCREASING AFFINITY FOR ANIONIC DYES SANDOZ LTD. (CH) 1976-10-19 US disclosed
US-3975382-A PYRAZOLONE(5)METAL COMPLEXES AS STABILIZERS FOR ORGANIC MATERIALSULTRAVIOLET RADIATION SANDOZ LTD. (CH) 1976-08-17 US disclosed
US-3948946-A Cyclic acetals and mercaptals SANDOZ LTD., (SANDOZ AG) (CH) 1976-04-06 US disclosed
US-3936479-A 2-BENZAMIDO-BENZOPHENONES, UV STABILIZERS, PLASTICS SANDOZ LTD., (SANDOZ AG) (CH) 1976-02-03 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 (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-20050101772-A1 Non-metallocenes, method for the production thereof and the use thereof for the polymerisation of olefins CPNE4, CYP4F12, PPOX TSHR 4196/4885THRB 4646/4885FAAH 3567/4885

“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.