SCHEMBL395017

SCHEMBL395017

CC(C)c1ccccc1C[O]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.44
GABRB2 P47870 2/20 0.44
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
FAAH O00519 2/20 0.41
SLC6A2 P23975 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2C P28335 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
HTR2B P41595 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL545484 0.83 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL29657207 0.83 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL10319639 0.81 GABRA1 (0.44) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL394969 0.80 TSHR (0.55) GABRA1GABRB2TSHRL3MBTL1
SCHEMBL9839884 0.80 GABRA1 (0.48) GABRA1GABRB2GABRG2GABRB3FAAH
Hydrogen Peroxide SCHEMBL18037718 0.79 GABRA1 (0.48) GABRA1GABRB2GABRG2GABRB3FAAH
Bromide SCHEMBL4074544 0.78 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL11654644 0.78 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL5350214 0.78 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL2219283 0.78 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015223-B1 Substituted polycyclic aryl and heteroaryl 1,2,4-triazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 US claimed
US-7015230-B1 Substituted polycyclic aryl and heteroaryl uracils useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 US claimed
US-20030191306-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-10-09 US claimed
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP claimed
US-4232151-A ANTIBIOTICS SHIONOGI & CO., LTD. (JP) 1980-11-04 US claimed
CN-113387055-B Film, method for producing film, and bag 住友化学株式会社 2024-06-07 CN disclosed
CN-117425653-A Method for producing bipyridine derivative, method for producing macrocyclic compound, method for producing metal complex containing macrocyclic compound as ligand, metal complex, electrode for air battery, and air battery 住友化学株式会社 2024-01-19 CN disclosed
US-11643533-B2 Film, method of producing film, and bag SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-05-09 US disclosed
CN-112638997-B Film and packaging container 住友化学株式会社 2023-04-28 CN disclosed
WO-2022249992-A1 PRODUCTION METHOD FOR BIPYRIDINE DERIVATIVE, PRODUCTION METHOD FOR MACROCYCLIC COMPOUND, PRODUCTION METHOD FOR METAL COMPLEX INCLUDING MACROCYCLIC COMPOUND AS LIGAND, METAL COMPLEX, ELECTRODE FOR AIR BATTERY, AND AIR BATTERY 住友化学株式会社 2022-12-01 WO disclosed
CN-110352213-B Film 住友化学株式会社 2022-09-09 CN disclosed
US-11149102-B2 Film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-10-19 US disclosed
EP-0842939-A1 TRANSITION METAL COMPLEX, PROCESS FOR THE PREPARATION THEREOF, POLYMERIZATION CATALYST FOR OLEFINS CONTAINING THE COMPLEX, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-20 EP disclosed
EP-0773219-A1 IMIDAZOQUINOLINE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1997-05-14 EP disclosed
EP-0753511-A1 INDOLE DERIVATIVE AND MEDICINE CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1997-01-15 EP disclosed
EP-0393607-A2 Phenylcarboxylic acid derivatives having a hetero ring OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-24 EP disclosed
US-4478833-A ANTICOAGULANTS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-23 US disclosed
US-4447436-A 1,2,3,4-Tetrahydroisoquinolines 6.10,7,8 dihydroxy substitute-1-methylanilino and use as smooth muscle relaxants FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-05-08 US disclosed
US-4232151-A ANTIBIOTICS SHIONOGI & CO., LTD. (JP) 1980-11-04 US disclosed
US-4220647-A MUSCLE RELAXANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-09-02 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-20030191306-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP GABRA1 4462/4885GABRB2 4337/4885GABRG2 4749/4885

“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.