SCHEMBL1702558

SCHEMBL1702558

CCc1ccc(-c2ccc(CC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.56
TAAR1 Q96RJ0 1/20 0.52
EGFR P00533 1/20 0.52
HRH3 Q9Y5N1 4/20 0.50
CYP2A6 P11509 1/20 0.50
UCHL1 P09936 1/20 0.50
LPL P06858 1/20 0.50
LIPG Q9Y5X9 1/20 0.50
METAP2 P50579 1/20 0.48
ALDH1A1 P00352 1/20 0.48
NISCH Q9Y2I1 1/20 0.46
CA2 P00918 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLAU P00749 1/20 0.44

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
SCHEMBL2776957 1.00 TP53 (0.56) TP53TAAR1EGFRHRH3CYP2A6
SCHEMBL19423242 0.91 RXRA (0.48) TP53TAAR1EGFRHRH3CYP2A6
SCHEMBL36295 0.89 TP53 (0.67) TP53TAAR1CYP2A6LPLLIPG
SCHEMBL2914914 0.88 TP53 (0.68) TP53TAAR1CYP2A6ALDH1A1TSHR
SCHEMBL2493917 0.88 IDO1 (0.48) TP53TAAR1EGFRHRH3CYP2A6
SCHEMBL403303 0.88 TP53 (0.68) TP53TAAR1CYP2A6ALDH1A1TSHR
SCHEMBL7102517 0.86 EGFR (0.48) TP53TAAR1EGFRHRH3CYP2A6
SCHEMBL919282 0.86 HRH3 (0.46) TP53TAAR1EGFRHRH3CYP2A6
SCHEMBL12205767 0.86 TP53 (0.43) TP53TAAR1EGFRHRH3CYP2A6
SCHEMBL19779068 0.86 TP53 (0.43) TP53TAAR1EGFRHRH3CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013173332-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN Vertichem Corporation (CA) 2013-11-21 WO claimed
US-20130232853-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN THESIS CHEMISTRY, LLC (US) 2013-09-12 US claimed
US-5268523-A Alkylation; zeolite catalyst CATALYTICA, INC. (US) 1993-12-07 US claimed
EP-0484436-A4 SELECTIVE SORPTION OF DIALKYLATED MULTINUCLEAR AROMATIC COMPOUNDS 1993-04-07 EP claimed
EP-0484436-A1 SELECTIVE SORPTION OF DIALKYLATED MULTINUCLEAR AROMATIC COMPOUNDS CATALYTICA INC. (US) 1992-05-13 EP claimed
WO-1991001286-A1 SELECTIVE SORPTION OF DIALKYLATED MULTINUCLEAR AROMATIC COMPOUNDS CATALYTICA, INC. (US) 1991-02-07 WO claimed
US-4460384-A Process for separating carbon monoxide from a gas mixture NIPPON STEEL CORPORATION (JP) 1984-07-17 US claimed
JP-63063638-A None JP disclosed
JP-2057386-A None JP disclosed
JP-4178338-A None JP disclosed
JP-9151141-A None JP disclosed
JP-6166641-A None JP disclosed
JP-4283522-A None JP disclosed
JP-S573873-A RECORDING LIQUID AND METHOD OF RECORDING CANON INC 1982-01-09 JP disclosed
US-4292462-A INSULATORS-COOLANTS FOR TRANSFORMERS RHONE-POULENC INDUSTRIES (FR) 1981-09-29 US disclosed
EP-0030394-A2 Process for preparing aryl esters of carboxylic acids RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1981-06-17 EP disclosed
US-4182915-A PHENOL FROM BENZENE BY REACTION OF THALLIUM/III/ METALLATE WITH HYDROXYL DONOR HALCON INTERNATIONAL, INC. (US) 1980-01-08 US disclosed
US-4177156-A SPECIALTY OILS FOR TRANSFORMERS RHONE-POULENC INDUSTRIES (FR) 1979-12-04 US disclosed
US-4119555-A COOLANTS FOR TRANSFORMERS RHONE-POULENC INDUSTRIES (FR) 1978-10-10 US disclosed
US-4056680-A Termination of d.c. high tension electric cables and method of manufacturing same SHOWA ELECTRIC WIRE & CABLE CO., LTD. (JA) 1977-11-01 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-20130232853-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN HAAO, HAO2, HACL2 TP53 3634/4885TAAR1 4434/4885EGFR 4878/4885

“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.