SCHEMBL1311986

SCHEMBL1311986

CCCC1CCC(CCc2ccc(-c3ccc(OCC)c(F)c3F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.45
S1PR1 P21453 3/20 0.35
S1PR3 Q99500 2/20 0.35
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
NLRP3 Q96P20 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32

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
SCHEMBL9406087 1.00 FFAR4 (0.45) FFAR4S1PR1S1PR3MAOBMAOA
SCHEMBL22277497 0.99 FFAR4 (0.44) FFAR4S1PR1S1PR3MAOBMAOA
SCHEMBL22277679 0.96 FFAR4 (0.43) FFAR4S1PR1S1PR3MAOBMAOA
SCHEMBL17827774 0.96 FFAR4 (0.47) FFAR4S1PR1S1PR3MAOBMAOA
SCHEMBL12032398 0.92 FFAR4 (0.42) FFAR4S1PR1S1PR3MAOBMAOA
SCHEMBL5394425 0.92 FFAR4 (0.43) FFAR4S1PR1S1PR3MAOBMAOA
SCHEMBL22277356 0.91 FFAR4 (0.44) FFAR4S1PR1S1PR3MAOBMAOA
SCHEMBL12113639 0.91 FFAR4 (0.44) FFAR4S1PR1S1PR3MAOBMAOA
SCHEMBL22277468 0.91 S1PR1 (0.39) FFAR4S1PR1S1PR3HRH3
SCHEMBL9485895 0.91 FFAR4 (0.38) FFAR4S1PR1S1PR3HRH3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2399896-B1 LIQUID CRYSTALLINE COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE EACH COMPRISING SAME JNC CORP (JP) 2016-04-13 EP disclosed
US-8298632-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition using this and liquid crystal display device JNC CORPORATION (JP) 2012-10-30 US disclosed
US-8298632-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition using this and liquid crystal display device JNC CORPORATION (JP) 2012-10-30 US disclosed
EP-2399896-A1 LIQUID CRYSTALLINE COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT EACH COMPRISING SAME JNC Corporation (JP) 2011-12-28 EP disclosed
US-20110272630-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION USING THIS AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-11-10 US disclosed
US-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed
EP-0362318-B1 2,3-DIFLUOROBIPHENYLS MERCK PATENT GmbH (DE) 1993-08-04 EP disclosed
US-5204019-A Liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-20 US disclosed
US-5143642-A Thiadiazoles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed
EP-0362318-A1 2,3-DIFLUOROBIPHENYLS. MERCK PATENT GMBH (DE) 1990-04-11 EP disclosed
WO-1989008687-A1 2,3-DIFLUOROBIPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 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 (1 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-20110272630-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION USING THIS AND LIQUID CRYSTAL DISPLAY DEVICE PYM1, AQP1, CXCR1 FFAR4 593/4885S1PR1 717/4885S1PR3 604/4885

“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.