SCHEMBL396706

SCHEMBL396706

CC(C)c1ccccc1[O]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.52
GABRB2 P47870 2/20 0.52
FAAH O00519 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
LMNA P02545 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
GABRB1 P18505 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2C P28335 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
HTR2B P41595 1/20 0.48
GABRA2 P47869 1/20 0.48

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
SCHEMBL2544954 0.82 GABRA1 (0.40) GABRA1GABRB2FAAHGABRG2GABRB3
SCHEMBL66162 0.81 GABRA1 (0.63) GABRA1GABRB2FAAHGABRG2GABRB3
SCHEMBL29429205 0.81 GABRA1 (0.63) GABRA1GABRB2FAAHGABRG2GABRB3
SCHEMBL199413 0.79 GABRA1 (0.57) GABRA1GABRB2FAAHGABRG2GABRB3
SCHEMBL14830645 0.78 FFAR1 (0.42) GABRA1GABRB2FAAHGABRG2GABRB3
SCHEMBL19640328 0.78 GABRA1 (0.37) GABRA1GABRB2FAAHGABRG2GABRB3
SCHEMBL6829698 0.78 GABRA1 (0.37) GABRA1GABRB2FAAHGABRG2GABRB3
SCHEMBL3417544 0.78 GABRA1 (0.37) GABRA1GABRB2FAAHGABRG2GABRB3
SCHEMBL810349 0.78 GABRA1 (0.42) GABRA1GABRB2FAAHGABRG2GABRB3
SCHEMBL98101 0.78 CYP2D6 (0.46) GABRA1GABRB2LMNACYP3A4CYP1A2

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 1368 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117831652-A Prediction method of olefin hydroformylation positive-to-negative ratio 上海华谊控股集团有限公司 2024-04-05 CN claimed
CN-114736096-B Benzocyclobutene monomer, benzocyclobutene resin, preparation thereof, low dielectric material and application thereof 华为技术有限公司 2023-07-28 CN claimed
CN-116410239-A Heteroatom-containing metallocene compound and preparation method and application thereof 惠生(中国)投资有限公司 2023-07-11 CN claimed
CN-110818545-B Method for preparing substituted aryl ketone by ketone arylation 上海化工研究院有限公司 2022-12-09 CN claimed
CN-110922286-B Asymmetric aryl substituted fulvene compound and preparation method and application thereof 上海化工研究院有限公司 2022-08-16 CN claimed
CN-110922286-A Asymmetric aryl substituted fulvene compound and preparation method and application thereof 上海化工研究院有限公司 2020-03-27 CN claimed
CN-110818545-A Method for preparing substituted aryl ketone by ketone arylation 上海化工研究院有限公司 2020-02-21 CN claimed
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP claimed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US claimed
EP-2328856-A2 SPECIFIC BRANCHED ALDEHYDES, ALCOHOLS, SURFACTANTS AND CONSUMER PRODUCTS BASED THEREON The Procter & Gamble Company (US) 2011-06-08 EP claimed
JP-2005536450-A 2005-12-02 JP claimed
CN-1177258-C Photo-thermo-sensitive imaging material ��ʿ��Ƭ��ʽ���� 2004-11-24 CN claimed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP claimed
US-6677382-B1 HALOGENATED OXYAMINES, USED AS ENZYME INHIBITORS FOR PROPHYLAXIS OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISORDERS, AND AS ANTILIPEMIC AGENTS PHARMACIA CORPORATION 2004-01-13 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
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US claimed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 WO claimed
WO-2000072395-A2 SULFONATED POLYPHOSPHAZENES FOR PROTON-EXCHANGE MEMBRANE FUEL CELLS ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2000-11-30 WO claimed
EP-0573182-B1 Process for extracting metal values AVECIA LTD (GB) 2000-01-05 EP claimed
US-4113495-A 2,4,4-TRIMETHYL-2-(2,5-DIHYDROXYPHENYL)-6-HYDROXY-CHROMANS FUJI PHOTO FILM CO., LTD. (JP) 1978-09-12 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 (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-20030191306-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP GABRA1 4462/4885GABRB2 4337/4885FAAH 741/4885
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 GABRA1 534/4885GABRB2 749/4885FAAH 1611/4885

“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.