SCHEMBL12739902

SCHEMBL12739902

CCCc1ccc(-c2ccc(C3CCC(CCc4ccc(OCC)cc4F)CC3)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 10/20 0.38
S1PR1 P21453 3/20 0.34
S1PR3 Q99500 2/20 0.34
FFAR1 O14842 3/20 0.31
HTR2A P28223 2/20 0.31
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
NLRP3 Q96P20 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
CAMKK1 Q8N5S9 1/20 0.30
CAMKK2 Q96RR4 1/20 0.30
KCNH2 Q12809 1/20 0.30
HTR2C P28335 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
SCHEMBL12739904 0.94 FFAR4 (0.40) FFAR4S1PR1S1PR3FFAR1RAB9A
SCHEMBL12735194 0.94 FFAR4 (0.38) FFAR4S1PR1S1PR3FFAR1NPC1
SCHEMBL12739900 0.93 FFAR4 (0.37) FFAR4S1PR1S1PR3FFAR1HTR2A
SCHEMBL14766640 0.93 FFAR4 (0.37) FFAR4FFAR1HTR2ANPC1CASP3
SCHEMBL12740044 0.93 FFAR4 (0.38) FFAR4S1PR1S1PR3FFAR1HTR2A
SCHEMBL12739914 0.93 FFAR4 (0.38) FFAR4S1PR1S1PR3FFAR1HTR2A
SCHEMBL14766780 0.91 FFAR4 (0.39) FFAR4S1PR1S1PR3FFAR1HTR2A
SCHEMBL14766490 0.90 LMNA (0.36) FFAR4FFAR1NPC1RAB9A
SCHEMBL12739913 0.90 FFAR4 (0.35) FFAR4FFAR1HTR2ARAB9ACAMKK1
SCHEMBL12740048 0.90 FFAR4 (0.38) FFAR4S1PR1S1PR3FFAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 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 (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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 FFAR4 546/4885S1PR1 1190/4885S1PR3 757/4885

“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.