SCHEMBL190852

SCHEMBL190852

CC1CCC(c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.52
AKR1C1 Q04828 1/20 0.52
ESR2 Q92731 1/20 0.47
SLC18A3 Q16572 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
LMNA P02545 1/20 0.41
GRIN2B Q13224 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL16830128 1.00 AKR1C3 (0.52) AKR1C3AKR1C1ESR2SLC18A3SIGMAR1
SCHEMBL16830208 1.00 AKR1C3 (0.52) AKR1C3AKR1C1ESR2SLC18A3SIGMAR1
SCHEMBL16830129 1.00 AKR1C3 (0.52) AKR1C3AKR1C1ESR2SLC18A3SIGMAR1
SCHEMBL16830211 1.00 AKR1C3 (0.52) AKR1C3AKR1C1ESR2SLC18A3SIGMAR1
SCHEMBL6456032 0.88 AKR1C3 (0.46) AKR1C3AKR1C1ESR2SLC18A3SIGMAR1
SCHEMBL11029181 0.88 AKR1C3 (0.46) AKR1C3AKR1C1ESR2SLC18A3SIGMAR1
SCHEMBL6456038 0.88 AKR1C3 (0.46) AKR1C3AKR1C1ESR2SLC18A3SIGMAR1
SCHEMBL2493273 0.87 TRPA1 (0.44) AKR1C3AKR1C1
SCHEMBL19207049 0.87 TRPA1 (0.44) AKR1C3AKR1C1SLC18A3DRD2
SCHEMBL594418 0.86 ESR2 (0.61) AKR1C3AKR1C1ESR2SLC18A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10259759-B2 Cyclohexylbenzene composition EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-04-16 US claimed
US-20170057895-A1 Phenol Composition EXXONMOBIL CHEMICAL PATENTS INC. 2017-03-02 US claimed
US-20170001930-A1 Cyclohexylbenzene Composition EXXONMOBIL CHEMICAL PATENTS INC. 2017-01-05 US claimed
EP-3083530-A1 CYCLOHEXYLBENZENE COMPOSITION ExxonMobil Chemical Patents Inc. (US) 2016-10-26 EP claimed
EP-2401248-B1 PROCESS FOR PRODUCING PHENOL EXXONMOBIL CHEM PATENTS INC (US) 2016-04-20 EP claimed
WO-2015094528-A1 CYCLOHEXYLBENZENE COMPOSITION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-06-25 WO claimed
WO-2015094571-A1 PHENOL COMPOSITION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-06-25 WO claimed
EP-3626802-B1 METHOD FOR PRODUCING LIQUID COMPOSITION SUMITOMO CHEMICAL CO (JP) 2024-12-25 EP disclosed
CN-113195055-A 5-membered heteroaryl carboxamide compounds for HBV therapy 组装生物科学股份有限公司 2021-07-30 CN disclosed
US-11046886-B2 Method for producing liquid composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-06-29 US disclosed
CN-111051470-B Process for preparing liquid composition 住友化学株式会社 2020-11-10 CN disclosed
US-20200199444-A1 METHOD FOR PRODUCING LIQUID COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-06-25 US disclosed
CN-111051470-A Process for preparing liquid composition 住友化学株式会社 2020-04-21 CN disclosed
US-5418256-A Hydrocarbon solvent, degrading and extracting, hydrocarbon reaction products UNIVERSITY OF SOUTH ALABAMA (US) 1995-05-23 US disclosed
EP-0380288-B1 Process for preparing 1,1,3,4,4,6-hexamethyl-1,2,3,4-tetrahydronaphtalene UNION CAMP CORP (US) 1994-03-30 EP disclosed
EP-0380288-A1 Process for preparing 1,1,3,4,4,6-hexamethyl-1,2,3,4-tetrahydronaphtalene Union Camp Corporation (US) 1990-08-01 EP disclosed
US-4877912-A Process for preparing 1,1,3,4,4,6-hexamethyl-1,2,3,4-tetrahydronaphthalene UNION CAMP CORPORATION (US) 1989-10-31 US disclosed
US-4683033-A COLORLESS PHILLIPS PETROLEUM COMPANY (US) 1987-07-28 US disclosed
US-4599472-A SALT FORMATION, DISTILLATION PHILLIPS PETROLEUM COMPANY (US) 1986-07-08 US disclosed
US-4551573-A ALUMINUM HALIDE AND ELEMENTAL IODINE AS CATALYST PHILLIPS PETROLEUM COMPANY (US) 1985-11-05 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 (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-10259759-B2 Cyclohexylbenzene composition CYP1B1, CYP4B1, MCCC2 AKR1C3 311/4885AKR1C1 525/4885ESR2 887/4885
US-20170001930-A1 Cyclohexylbenzene Composition CYP1B1, CYP4B1, MCCC2 AKR1C3 311/4885AKR1C1 525/4885ESR2 887/4885
US-20170057895-A1 Phenol Composition CYP4B1, CYP26B1, CYP1B1 AKR1C3 438/4885AKR1C1 708/4885ESR2 501/4885

“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.