SCHEMBL8568671

SCHEMBL8568671

CC[C@H]1CC[C@H](c2ccc(O)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 17/20 0.69
ESR1 P03372 6/20 0.69
CYP2C9 P11712 3/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2D6 P10635 1/20 0.61

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
SCHEMBL5478613 1.00 ESR2 (0.69) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL10762155 0.94 ESR2 (0.62) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL10894056 0.94 ESR2 (0.62) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL10762150 0.94 ESR2 (0.62) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL18257846 0.93 ESR2 (0.73) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL18257844 0.93 ESR2 (0.73) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL11187444 0.89 ESR2 (0.52) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL11187439 0.89 ESR2 (0.52) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL1119887 0.85 ESR2 (0.71) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL1531852 0.85 ESR2 (0.71) ESR2ESR1CYP2C9CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114656334-B Phenolic oligomer, preparation method thereof and asphaltene deposition inhibitor composition 中国石油化工股份有限公司 2024-04-02 CN disclosed
CN-114763469-B Oil-soluble paraffin removal and prevention agent and preparation method thereof 中国石油化工股份有限公司 2024-02-09 CN disclosed
EP-3071541-B1 SUBSTITUTED (4'-HYDROXYPHENYL)CYCLOALKANE COMPOUNDS AND USES THEREOF AS SELECTIVE AGONISTS OF THE ESTROGEN RECEPTOR BETA ISOFORM UNIV MARQUETTE (US) 2023-06-07 EP disclosed
CN-114763469-A Oil-soluble paraffin removal and prevention agent and preparation method thereof 中国石油化工股份有限公司 2022-07-19 CN disclosed
CN-114656334-A Phenolic aldehyde oligomer, preparation method thereof and asphaltene deposition inhibitor composition 中国石油化工股份有限公司 2022-06-24 CN disclosed
US-10570077-B2 Substituted (4'-hydroxyphenyl)cyclohexane compounds and uses thereof as selective agonists of the estrogen receptor beta isoform MARQUETTE UNIVERSITY (US) 2020-02-25 US disclosed
US-9599760-B2 Composition for optical film, and films and display device SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-03-21 US disclosed
US-20160340279-A1 SUBSTITUTED (4'-HYDROXYPHENYL)CYCLOAKLKANE COMPOUNDS AND USES THEREOF AS SELECTIVE AGONISTS OF THE ESTROGEN RECEPTOR BETA ISOFORM MARQUETTE UNIVERSITY (US) 2016-11-24 US disclosed
US-20160187552-A1 COMPOSITION FOR OPTICAL FILM, AND FILMS AND DISPLAY DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-06-30 US disclosed
US-5830976-A POLYAMIC ACID FROM BIPHENYLTETRACARBOXYLIC ACID AND (CYCLOHEXYLPHENOXY)ALKYL 3,5-DIAMINOBENZOATE, LIQUID CRYSTALS CHISSO CORPORATION (JP) 1998-11-03 US disclosed
US-5536442-A ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-16 US disclosed
WO-1995010498-A1 3,4,5-TRIFLUOROBENZENES AND THEIR USE IN LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1995-04-20 WO disclosed
US-5324449-A Substituted phenyl trifluoromethyl ethers MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-06-28 US disclosed
US-5230827-A DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-07-27 US disclosed
EP-0334911-B1 SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS MERCK PATENT GmbH (DE) 1993-02-10 EP disclosed
EP-0358741-B1 DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID MERCK PATENT GmbH (DE) 1993-02-10 EP disclosed
EP-0358741-A1 DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID. MERCK PATENT GMBH (DE) 1990-03-21 EP disclosed
EP-0334911-A1 SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS MERCK PATENT GmbH (DE) 1989-10-04 EP disclosed
WO-1989008688-A1 DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
WO-1989002884-A1 SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-04-06 WO 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 (2 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-20160340279-A1 SUBSTITUTED (4'-HYDROXYPHENYL)CYCLOAKLKANE COMPOUNDS AND USES THEREOF AS SELECTIVE AGONISTS OF THE ESTROGEN RECEPTOR BETA ISOFORM ESR2, GPER1, ESRRG ESR2 1/4885ESR1 4/4885CYP2C9 1298/4885
US-10570077-B2 Substituted (4'-hydroxyphenyl)cyclohexane compounds and uses thereof as selective agonists of the estrogen receptor beta isoform ESR2, GPER1, ESR1 ESR2 1/4885ESR1 3/4885CYP2C9 764/4885

“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.