SCHEMBL422994

SCHEMBL422994

O=C1CCC(C2CCC3(CC2)OCCO3)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.32
POLB P06746 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 2/20 0.30
MAPK1 P28482 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL19339358 0.98 ALDH1A1 (0.33) ALDH1A1KMT2APKMPOLBKDM4E
SCHEMBL19884668 0.93 ALDH1A1 (0.33) ALDH1A1KMT2AKDM4ECYP2C19LMNA
SCHEMBL4569170 0.84 SHBG (0.31)
SCHEMBL6452870 0.84 SHBG (0.31)
SCHEMBL20231835 0.83
SCHEMBL6667534 0.81 CYP3A4 (0.32) KMT2AKDM4ELMNAMAPK1NPC1
SCHEMBL6453097 0.80
SCHEMBL6452956 0.80
SCHEMBL22167399 0.79
SCHEMBL8517346 0.79 GPR119 (0.38) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8012616-A None JP disclosed
US-12072630-B2 Resist underlayer film-forming composition including cyclic carbonyl compound NISSAN CHEMICAL CORPORATION (JP) 2024-08-27 US disclosed
CN-111602087-B Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element, polymer and compound JSR株式会社 2023-03-24 CN disclosed
US-20200239775-A1 TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-07-30 US disclosed
EP-3406585-B1 TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2020-07-29 EP disclosed
EP-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 EP disclosed
EP-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 EP disclosed
EP-3257839-B1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2019-09-04 EP disclosed
EP-3216844-B1 LIQUID CRYSTAL COMPOUND HAVING TERCYCLOHEXYL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2019-04-17 EP disclosed
US-9994770-B2 Liquid crystal compound having tercyclohexyl, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-06-12 US disclosed
EP-0458176-B1 Bicyclohexyl derivatives HOFFMANN LA ROCHE (CH) 1995-08-02 EP disclosed
EP-0637623-A1 Cyclic hydrocarbon derivative and liquid crystal composition containing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1995-02-08 EP disclosed
US-5292452-A Electrooptical devices; high dielectric anisotropy, low rotation viscosity, short response time HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
US-5185098-A Liquid crystalline mixtures containing 3,4-difluorophenyl-substituted bicyclohexyls HOFFMANN-LA ROCHE INC. (US) 1993-02-09 US disclosed
US-5174921-A BICYCLOHEXYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 1992-12-29 US disclosed
EP-0475273-A1 Halogenated alcenyl compounds F. HOFFMANN-LA ROCHE AG (CH) 1992-03-18 EP disclosed
EP-0458176-A1 Bicyclohexyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-11-27 EP disclosed
US-4985583-A Liquid Crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-01-15 US disclosed
EP-0154849-B1 CYCLOHEXANE DERIVATIVES MERCK PATENT GmbH (DE) 1989-01-25 EP disclosed
EP-0154849-A2 Cyclohexane derivatives MERCK PATENT GmbH (DE) 1985-09-18 EP disclosed