SCHEMBL4745386

SCHEMBL4745386

CC(C)(c1ccc(O)cc1)c1ccc(Cl)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.76
ESR2 Q92731 7/20 0.76
CYP3A4 P08684 2/20 0.76
TSHR P16473 2/20 0.76
AR P10275 1/20 0.76
HPGD P15428 1/20 0.76
SLC6A2 P23975 1/20 0.76
SLC6A4 P31645 1/20 0.76
HTR6 P50406 1/20 0.76
ESRRG P62508 1/20 0.76
SLC6A3 Q01959 1/20 0.76
HSD17B10 Q99714 1/20 0.76
ALDH1A1 P00352 1/20 0.64
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 1/20 0.54
TYR P14679 1/20 0.54
POLB P06746 1/20 0.47
MAPK1 P28482 2/20 0.46
SHBG P04278 1/20 0.45

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
Bisphenol A SCHEMBL31267162 0.87 ESR1 (1.00) ESR1ESR2CYP3A4TSHRAR
SCHEMBL2768675 0.87 MEN1 (0.62) ESR1ESR2CYP3A4TSHRAR
SCHEMBL27996 0.87 ESR1 (1.00) ESR1ESR2CYP3A4TSHRAR
Bisphenol A SCHEMBL15062 0.87 ESR1 (1.00) ESR1ESR2CYP3A4TSHRAR
Bisphenol A SCHEMBL8058731 0.87 ESR1 (1.00) ESR1ESR2CYP3A4TSHRAR
Bisphenol A SCHEMBL278218 0.87 ESR1 (1.00) ESR1ESR2CYP3A4TSHRAR
SCHEMBL15868669 0.87 ESR1 (1.00) ESR1ESR2CYP3A4TSHRAR
Bisphenol A SCHEMBL9774987 0.87 ESR1 (1.00) ESR1ESR2CYP3A4TSHRAR
Bisphenol A SCHEMBL3170263 0.87 ESR1 (1.00) ESR1ESR2CYP3A4TSHRAR
SCHEMBL31497682 0.87 MEN1 (0.62) ESR1ESR2CYP3A4TSHRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9161542-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2015-10-20 US claimed
US-20120302611-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2012-11-29 US claimed
WO-2012162595-A2 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2012-11-29 WO claimed
US-9161542-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2015-10-20 US disclosed
US-20120302611-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2012-11-29 US disclosed
WO-2008107320-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO disclosed
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
CN-1272884-A Adipocyte-specific protein homologs ZYMOGENETICS INC (US) 2000-11-08 CN disclosed
CN-1263882-A Method for preparing fluorine-substituted aromatic compound MITSUI CHEMICALS INC (JP) 2000-08-23 CN disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP disclosed
US-4705843-A Process for the production of substituted polyaryl ethers BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 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-20120302611-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS PRDX6, PRDX2, PRDX1 ESR1 4806/4885ESR2 4273/4885CYP3A4 1276/4885

“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.