SCHEMBL1040481

SCHEMBL1040481

CCC(C)(C)Oc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.51
CYP1A2 P05177 4/20 0.51
CYP3A4 P08684 4/20 0.51
HTR2A P28223 3/20 0.51
TSHR P16473 3/20 0.51
ABCB11 O95342 2/20 0.51
PMP22 Q01453 2/20 0.51
CYP2C19 P33261 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP2D6 P10635 2/20 0.50
OPRK1 P41145 1/20 0.46
PPARG P37231 4/20 0.44
FABP2 P12104 2/20 0.43
SLC22A12 Q96S37 1/20 0.43
ALDH1A1 P00352 5/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL133972 0.89 TSHR (0.41) PPARACYP1A2CYP3A4HTR2ATSHR
SCHEMBL18885322 0.86 PPARA (0.65) PPARACYP1A2CYP3A4HTR2ATSHR
SCHEMBL19969858 0.83 PPARA (0.51) PPARACYP1A2CYP3A4HTR2ATSHR
SCHEMBL13969486 0.82 HRH3 (0.53) PPARACYP1A2CYP3A4HTR2ATSHR
SCHEMBL24575665 0.82 TSHR (0.36) PPARACYP1A2CYP3A4HTR2ATSHR
SCHEMBL22645661 0.82 PPARA (0.36) PPARACYP1A2CYP3A4HTR2ATSHR
SCHEMBL24378319 0.82 NPC1 (0.47) CYP3A4TSHRMAPTMEN1KMT2A
SCHEMBL2441978 0.81 PPARA (0.53) PPARACYP1A2CYP3A4HTR2ATSHR
SCHEMBL987495 0.81 PPARA (0.53) PPARACYP1A2CYP3A4HTR2ATSHR
SCHEMBL987506 0.81 PPARA (0.48) PPARACYP1A2CYP3A4HTR2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122059814-A Preparation method of 1- (1, 1-dimethylpropoxy) -4-vinylbenzene 西安爱德克美新材料有限公司 2026-05-19 CN disclosed
US-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-07-20 US disclosed
US-10544106-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-01-28 US disclosed
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2018-03-15 US disclosed
US-9829792-B2 Monomer, polymer, positive resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-11-28 US disclosed
US-9771321-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-26 US disclosed
US-9738642-B2 Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
WO-2017066103-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2017-04-20 WO disclosed
US-20170008982-A1 MONOMER, POLYMER, POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-01-12 US disclosed
US-20170008982-A1 MONOMER, POLYMER, POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-01-12 US disclosed
US-8242164-B2 3-(phenoxyphenylmethyl)pyrrolidine compounds THERAVANCE, INC. (US) 2012-08-14 US disclosed
US-20110294070-A1 MONOMER, POLYMER, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-12-01 US disclosed
US-20110275694-A1 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2011-11-10 US disclosed
US-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 US disclosed
WO-2011034849-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMED PHARMA, INC. (US) 2011-03-24 WO disclosed
EP-2268140-A2 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS Aurimmed Pharma, Inc. (US) 2011-01-05 EP disclosed
WO-2009117515-A2 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2009-09-24 WO disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 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 (9 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 PPARA 757/4885CYP1A2 980/4885CYP3A4 1324/4885
US-10544106-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 PPARA 2335/4885CYP1A2 1481/4885CYP3A4 1264/4885
US-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION CFH, DOHH, CTSH PPARA 3251/4885CYP1A2 552/4885CYP3A4 241/4885
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 PPARA 77/4885CYP1A2 1463/4885CYP3A4 1734/4885
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof MMP8, MMP26, MMP9 PPARA 2595/4885CYP1A2 763/4885CYP3A4 1436/4885
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 PPARA 2335/4885CYP1A2 1481/4885CYP3A4 1264/4885
US-20170008982-A1 MONOMER, POLYMER, POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS PARG, PARN, MMS19 PPARA 3510/4885CYP1A2 4234/4885CYP3A4 4333/4885
US-20110275694-A1 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS HTR6, SLC6A2, SLC6A4 PPARA 4548/4885CYP1A2 139/4885CYP3A4 132/4885
US-20110294070-A1 MONOMER, POLYMER, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS PARG, PCNA, POLH PPARA 3779/4885CYP1A2 3430/4885CYP3A4 3608/4885

“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.