SCHEMBL12734835

SCHEMBL12734835

CCCCCc1ccc(C2CCC(CCc3ccc(C4CCC(CCC)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
SPHK1 Q9NYA1 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
TYR P14679 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRL1 P41146 7/20 0.33
CNR2 P34972 1/20 0.32
BCHE P06276 1/20 0.31

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
SCHEMBL12739657 1.00 CYP2C9 (0.35) CYP2C9SPHK1MAPTMEN1KMT2A
SCHEMBL12733615 0.97 CYP2C9 (0.36) CYP2C9SPHK1MAPTMEN1KMT2A
SCHEMBL9406177 0.97 CYP2C9 (0.36) CYP2C9SPHK1MAPTMEN1KMT2A
SCHEMBL9406170 0.97 CYP2C9 (0.36) CYP2C9SPHK1MAPTMEN1KMT2A
SCHEMBL12734828 0.96 CYP2C9 (0.35) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL12739655 0.96 CYP2C9 (0.35) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL10302050 0.95 SPHK1 (0.33) SPHK1MAPTMEN1KMT2ATP53
SCHEMBL12196768 0.94 CNR2 (0.33) CYP2C9SPHK1MAPTMEN1KMT2A
SCHEMBL9406369 0.94 CYP2C9 (0.34) CYP2C9SPHK1MAPTMEN1KMT2A
SCHEMBL9406366 0.94 CYP2C9 (0.34) CYP2C9SPHK1MAPTMEN1KMT2A

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 2 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-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 CYP2C9 2816/4885SPHK1 1395/4885MAPT 1075/4885

“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.