SCHEMBL221696

SCHEMBL221696

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.57
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
RARB P10826 11/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RARA P10276 1/20 0.50
MTOR P42345 1/20 0.50
MAPK1 P28482 1/20 0.48
P2RY14 Q15391 1/20 0.43
PTPN11 Q06124 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL221697 1.00 CYP2C9 (0.57) CYP2C9ALDH1A1MAPTLMNARARB
Hydrochloric Acid SCHEMBL10971557 0.99 CYP2C9 (0.56) CYP2C9ALDH1A1MAPTLMNARARB
Hydrochloric Acid SCHEMBL10971561 0.99 CYP2C9 (0.56) CYP2C9ALDH1A1MAPTLMNARARB
SCHEMBL26364932 0.96 CYP2C9 (0.53) CYP2C9ALDH1A1MAPTLMNARARB
SCHEMBL17173620 0.96 CYP2C9 (0.58) CYP2C9ALDH1A1MAPTLMNARARB
SCHEMBL220859 0.96 CYP2C9 (0.61) CYP2C9ALDH1A1MAPTLMNARARB
SCHEMBL220860 0.96 CYP2C9 (0.61) CYP2C9ALDH1A1MAPTLMNARARB
SCHEMBL2492365 0.94 CYP2C9 (0.59) CYP2C9ALDH1A1MAPTLMNARARB
SCHEMBL9352218 0.94 CYP2C9 (0.59) CYP2C9ALDH1A1MAPTLMNARARB
Hydrochloric Acid SCHEMBL8556826 0.94 CYP2C9 (0.59) CYP2C9ALDH1A1MAPTLMNARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12234402-B2 Mesogen compounds TRANSITIONS OPTICAL, LTD. (IE) 2025-02-25 US disclosed
US-20230383187-A1 Mesogen Compounds TRANSITIONS OPTICAL, LTD. (IE) 2023-11-30 US disclosed
US-11773326-B2 Mesogen compounds TRANSITIONS OPTICAL, LTD. (IE) 2023-10-03 US disclosed
EP-3894514-B1 MESOGEN COMPOUNDS TRANSITIONS OPTICAL LTD (IE) 2022-11-23 EP disclosed
US-20220049161-A1 Mesogen Compounds TRANSITIONS OPTICAL, LTD. (IE) 2022-02-17 US disclosed
EP-3894514-A1 MESOGEN COMPOUNDS Transitions Optical, Ltd. (IE) 2021-10-20 EP disclosed
WO-2020120282-A1 MESOGEN COMPOUNDS TRANSITIONS OPTICAL, LTD. (IE) 2020-06-18 WO disclosed
EP-3045971-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2016-07-20 EP disclosed
EP-2652553-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-04-06 EP disclosed
EP-2652553-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2013-10-23 EP disclosed
US-5328643-A Electrooptic display, switches, modulators; physical and chemical stability and spontaneous polarization TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-07-12 US disclosed
EP-0351782-A2 Optically active compounds liquid crystal composition containing said compound, and liquid crystal optical modulator using said composition HITACHI, LTD. (JP) 1990-01-24 EP disclosed
EP-0341713-A2 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI, LTD. (JP) 1989-11-15 EP disclosed
US-4708441-A LIQUID CRYSTALS HOFFMAN-LA ROCHE INC. (US) 1987-11-24 US disclosed
EP-0144648-B1 LIQUID CRYSTALS: DERIVATIVES OF CYCLOHEXYLBENZENE AND CYCLOHEXYLBIPHENYL F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-10-21 EP disclosed
US-4652089-A PACKING FOR CHROMATOGRAPHY COLUMNS, ELECTRO-OPTICAL CELLS HOFFMANN-LA ROCHE INC. (US) 1987-03-24 US disclosed
EP-0103681-B1 TETRA- AND PENTACYCLIC MONOESTERS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-07-30 EP disclosed
US-4550981-A Liquid crystalline esters and mixtures HOFFMANN-LA ROCHE INC. (US) 1985-11-05 US disclosed
US-4526704-A Esters containing phenylene and cyclohexylene rings HOFFMANN-LA ROCHE INC. (US) 1985-07-02 US disclosed
US-4154697-A Liquid crystalline hexahydroterphenyl derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1979-05-15 US disclosed