SCHEMBL5166554

SCHEMBL5166554

CCc1ccc(O)c(C(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.59
HSP90AA1 P07900 2/20 0.49
HSP90AB1 P08238 2/20 0.49
THRA P10827 11/20 0.47
THRB P10828 11/20 0.47
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
ALOX15 P16050 3/20 0.44
ALOX12 P18054 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ESR1 P03372 2/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
RECQL P46063 2/20 0.44
KMT2A Q03164 2/20 0.44
HIF1A Q16665 2/20 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
SCHEMBL51701 0.88 TRPA1 (0.59) TRPA1HSP90AA1HSP90AB1GABRA1GABRB2
SCHEMBL4392926 0.85 THRA (0.55) TRPA1HSP90AA1HSP90AB1THRATHRB
SCHEMBL12949905 0.85 THRA (0.51) TRPA1HSP90AA1HSP90AB1THRATHRB
SCHEMBL1860686 0.84 CNR1 (0.60) HSP90AA1HSP90AB1THRATHRBGABRA1
SCHEMBL9461082 0.84 TRPA1 (0.55) TRPA1HSP90AA1HSP90AB1THRATHRB
SCHEMBL5382094 0.83 THRA (0.47) TRPA1HSP90AA1HSP90AB1THRATHRB
SCHEMBL5520591 0.83 TRPA1 (0.59) TRPA1HSP90AA1HSP90AB1GABRA1GABRB2
SCHEMBL4610099 0.83 TRPA1 (0.59) TRPA1HSP90AA1HSP90AB1GABRA1GABRB2
SCHEMBL10821782 0.82 THRA (0.46) TRPA1HSP90AA1HSP90AB1THRATHRB
SCHEMBL10947856 0.82 THRA (0.47) TRPA1HSP90AA1HSP90AB1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102596873-B Novel trisphenol compound HONSHU CHEMICAL IND 2014-11-12 CN claimed
US-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2017-12-21 US disclosed
CN-102163013-B Electrophotographic photoreceptor and image forming apparatus using the same MITSUBISHI CHEM CORP 2015-02-18 CN disclosed
CN-102596873-B Novel trisphenol compound HONSHU CHEMICAL IND 2014-11-12 CN disclosed
CN-102169298-B Image forming apparatus with a plurality of image forming units MITSUBISHI CHEM CORP 2014-01-08 CN disclosed
CN-102156394-B Electrophotographic photoreceptor, and image forming apparatus and electrophotographic photoreceptor cartridge using the same MITSUBISHI CHEM CORP 2013-09-25 CN disclosed
CN-102221793-B Electrophotographic photoreceptor, and image forming apparatus and electrophotographic photoreceptor cartridge using the same MITSUBISHI CHEM CORP 2013-07-31 CN disclosed
CN-102169297-B Electrophotographic photoreceptor, and image forming apparatus and electrophotographic photoreceptor cartridge using the same MITSUBISHI CHEM CORP 2013-07-31 CN disclosed
CN-101817713-B Preparation method of 2, 2'-biphenyl diphenol and derivatives thereof BEIJING OKEANOS TECHNOLOGY CO LTD 2013-06-12 CN disclosed
CN-102596873-A Novel trisphenol compound HONSHU CHEMICAL IND 2012-07-18 CN disclosed
EP-0595979-A1 POLYMERIZATION PROCESS AND PRODUCTS. SHELL OIL CO (US) 1994-05-11 EP disclosed
EP-0593653-A1 POLYMERIZATION PROCESS AND PRODUCTS. SHELL OIL CO (US) 1994-04-27 EP disclosed
EP-0588800-A1 POLYMERIZATION PROCESS AND PRODUCTS. SHELL OIL CO (US) 1994-03-30 EP disclosed
WO-1993002121-A1 POLYMERIZATION PROCESS AND PRODUCTS SHELL OIL COMPANY (US) 1993-02-04 WO disclosed
WO-1993001223-A1 POLYMERIZATION PROCESS AND PRODUCTS SHELL OIL COMPANY (US) 1993-01-21 WO disclosed
CN-1067661-A Polymerisation process SHELL OIL CO (US) 1993-01-06 CN disclosed
WO-1992022597-A1 POLYMERIZATION PROCESS AND PRODUCTS SHELL OIL COMPANY (US) 1992-12-23 WO disclosed
US-5143992-A Methathesis polymerizable adducts of a divinylcyclohydrocarbon and cyclopentadiene SHELL OIL COMPANY (US) 1992-09-01 US disclosed
US-5095082-A Polymerization process employing mixture of Diels-Alder adducts of 4-vinylcyclohexene and cyclopentadiene SHELL OIL COMPANY (US) 1992-03-10 US disclosed
US-4077962-A WATER INSOLUBLE, GREEN-YELLOW, SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1978-03-07 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-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 TRPA1 2845/4885HSP90AA1 4318/4885HSP90AB1 4215/4885

“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.