SCHEMBL5116401

SCHEMBL5116401

CCCC1CCC(C2CCC(c3ccc(O)cc3)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 13/20 0.65
CYP2C9 P11712 3/20 0.59
ESR1 P03372 6/20 0.59
CYP3A4 P08684 2/20 0.59
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
MEN1 O00255 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP2D6 P10635 1/20 0.53

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
SCHEMBL8370024 1.00 ESR2 (0.65) ESR2CYP2C9ESR1CYP3A4ALDH1A1
SCHEMBL8370026 1.00 ESR2 (0.65) ESR2CYP2C9ESR1CYP3A4ALDH1A1
SCHEMBL1119887 0.95 ESR2 (0.71) ESR2CYP2C9ESR1CYP3A4ALDH1A1
SCHEMBL1531852 0.95 ESR2 (0.71) ESR2CYP2C9ESR1CYP3A4ALDH1A1
SCHEMBL9159105 0.91 CYP2C9 (0.63) ESR2CYP2C9ESR1CYP3A4ALDH1A1
SCHEMBL9159110 0.91 CYP2C9 (0.63) ESR2CYP2C9ESR1CYP3A4ALDH1A1
SCHEMBL9159091 0.91 CYP2C9 (0.63) ESR2CYP2C9ESR1CYP3A4ALDH1A1
SCHEMBL10893213 0.91 CYP2C9 (0.63) ESR2CYP2C9ESR1CYP3A4ALDH1A1
SCHEMBL10893211 0.91 CYP2C9 (0.63) ESR2CYP2C9ESR1CYP3A4ALDH1A1
SCHEMBL10893199 0.91 CYP2C9 (0.63) ESR2CYP2C9ESR1CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046889-B2 Polymerizable compound and optically anisotropic body DIC CORPORATION (JP) 2021-06-29 US disclosed
US-10968189-B2 Method for producing 2-hydrazinobenzothiazole derivative DIC CORPORATION (JP) 2021-04-06 US disclosed
US-10927087-B2 Method for producing polymerizable compound DIC CORPORATION (JP) 2021-02-23 US disclosed
US-10723952-B2 Polymerizable compound and optically anisotropic body DIC CORPORATION (JP) 2020-07-28 US disclosed
US-20200165215-A1 METHOD FOR PRODUCING 2-HYDRAZINOBENZOTHIAZOLE DERIVATIVE DIC CORPORATION (JP) 2020-05-28 US disclosed
US-10358602-B2 Liquid crystal compound having polyfluoro-2-butenoxy group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-07-23 US disclosed
EP-3135659-B1 LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2018-12-19 EP disclosed
US-9951277-B2 Liquid crystal compound having 1,1,3,3-tetrafluoroallyloxy group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-04-24 US disclosed
US-9951277-B2 Liquid crystal compound having 1,1,3,3-tetrafluoroallyloxy group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-04-24 US disclosed
US-9896624-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-02-20 US disclosed
US-5196140-A ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-03-23 US disclosed
EP-0313604-B1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK PATENT GmbH (DE) 1992-03-25 EP disclosed
EP-0313604-A1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT. MERCK PATENT GMBH (DE) 1989-05-03 EP disclosed
EP-0205340-B1 LIQUID CRYSTAL ESTER COMPOUND Chisso Corporation (JP) 1989-01-11 EP disclosed
WO-1988008441-A1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-11-03 WO disclosed
EP-0094487-B1 HYDROTERPHENYLS, THEIR PREPARATION AND THEIR USE IN DIELECTRIC LIQUID CRYSTAL MATERIAL MERCK PATENT GmbH (DE) 1987-09-09 EP disclosed
US-4680137-A Liquid crystal ester compound CHISSO CORPORATION (JP) 1987-07-14 US disclosed
EP-0205340-A1 Liquid crystal ester compound Chisso Corporation (JP) 1986-12-17 EP disclosed
US-4620938-A Hydroterphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-11-04 US disclosed
EP-0094487-A1 Hydroterphenyls, their preparation and their use in dielectric liquid crystal material MERCK PATENT GmbH (DE) 1983-11-23 EP 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 (5 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-20200165215-A1 METHOD FOR PRODUCING 2-HYDRAZINOBENZOTHIAZOLE DERIVATIVE HAO2, IDH2, HACL2 ESR2 4274/4885CYP2C9 310/4885ESR1 4615/4885
US-10927087-B2 Method for producing polymerizable compound INCENP, INF2, INHA ESR2 4850/4885CYP2C9 885/4885ESR1 4825/4885
US-11046889-B2 Polymerizable compound and optically anisotropic body OCIAD1, RCC1, OCIAD2 ESR2 4015/4885CYP2C9 1735/4885ESR1 3310/4885
US-10723952-B2 Polymerizable compound and optically anisotropic body SMC4, SMCHD1, PHOSPHO1 ESR2 4827/4885CYP2C9 3871/4885ESR1 4289/4885
US-10968189-B2 Method for producing 2-hydrazinobenzothiazole derivative HAO2, IDH2, HACL2 ESR2 4274/4885CYP2C9 310/4885ESR1 4615/4885

“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.