SCHEMBL4305920

SCHEMBL4305920

CC(C)c1cccc2cc(O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.48
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
CYP3A4 P08684 2/20 0.48
FAAH O00519 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2C P28335 1/20 0.48
GABRB3 P28472 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
SCHEMBL30487951 0.87 TLR8 (0.44) CYP1A2TLR8ESR1ESR2HSD17B1
SCHEMBL30487941 0.87 TLR8 (0.44) CYP1A2TLR8ESR1ESR2HSD17B1
SCHEMBL10714677 0.86 CYP1A2 (0.52) CYP1A2GABRA1GABRB2CYP3A4FAAH
SCHEMBL4302061 0.85 MCL1 (0.53) CYP1A2GABRA1GABRB2CYP3A4FAAH
SCHEMBL10224689 0.82 TSHR (0.50) CYP1A2TSHRTLR8ESR1ESR2
SCHEMBL27904877 0.82 CLK1 (0.44) CYP1A2TLR8ANPEPDPP4ESR1
SCHEMBL28325207 0.81 AKR1B1 (0.46) PTGS1TLR8MEN1KMT2ACLK1
SCHEMBL11745542 0.79 GABRA1 (0.48) CYP1A2GABRA1GABRB2CYP3A4FAAH
SCHEMBL19604459 0.79 TLR8 (0.41) CYP1A2SLC6A2TLR8ESR1ESR2
SCHEMBL8781801 0.78 UGT2B7 (0.42) CYP1A2GABRA1GABRB2CYP3A4FAAH

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969272-B2 Hydroxyaromatic functionalized polyalpha-olefins EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-03-03 US claimed
US-20210094919-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-04-01 US disclosed
US-8969272-B2 Hydroxyaromatic functionalized polyalpha-olefins EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-03-03 US disclosed
US-8946188-B2 Anti-microbial agents and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-02-03 US disclosed
US-20140024611-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-01-23 US disclosed
US-8461128-B2 Anti-microbial agents and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-11 US disclosed
WO-2009131765-A1 HYDROXYAROMATIC FUNCTIONALIZED POLYALPHA-OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-10-29 WO disclosed
US-20090270296-A1 HydroxyAromatic Functionalized Polyalpha-Olefins EXXONMOBIL CHEMICAL PATENTS INC. 2009-10-29 US disclosed
US-20090170805-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 US disclosed
US-20090170805-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 US disclosed
EP-0701577-B1 POLYMER ALKYLATION OF HYDROXYAROMATIC COMPOUNDS EXXON CHEMICAL PATENTS INC (US) 1999-01-20 EP disclosed
EP-0701577-A1 POLYMER ALKYLATION OF HYDROXYAROMATIC COMPOUNDS EXXON CHEMICAL PATENTS INC. (US) 1996-03-20 EP disclosed
CN-1031188-C Process for producing hydroxy group-containing alkyl aromatic compound SUMITOMO CHEMICAL CO (JP) 1996-03-06 CN disclosed
EP-0249415-B2 Production of alkylated hydroxy aromatic compounds SUMITOMO CHEMICAL CO (JP) 1995-11-15 EP disclosed
WO-1994028035-A1 POLYMER ALKYLATION OF HYDROXYAROMATIC COMPOUNDS EXXON CHEMICAL PATENTS INC. (US) 1994-12-08 WO disclosed
US-5334775-A Reacting with a terminally unsaturated polymer in the presence of a partially or completely dehydrated heteropoly catalyst; precursors for production of fuel and lubricant additives EXXON CHEMICAL PATENTS INC. (US) 1994-08-02 US disclosed
US-RE34076-E Alkylation catalysis of aromatic alcohol with alkylating agent in presence of heteropoly acid and water SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-09-22 US disclosed
US-4912264-A Liquid phase alkylation of a hydroxyl containing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-03-27 US disclosed
CN-87104109-A Process for producing hydroxy group-containing alkyl aromatic compound 1988-01-20 CN disclosed
EP-0249415-A2 Production of alkylated hydroxy aromatic compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-12-16 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 (3 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-20140024611-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF ACAT1, ACAT2, APEH CYP1A2 4485/4885GABRA1 3823/4885GABRB2 4243/4885
US-20090170805-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF ACAT1, ACAT2, APEH CYP1A2 4485/4885GABRA1 3823/4885GABRB2 4243/4885
US-20210094919-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC CYP1A2 4406/4885GABRA1 4163/4885GABRB2 4258/4885

“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.