SCHEMBL10301611

SCHEMBL10301611

CCCCCc1ccc(C2CCC(c3ccc(CCC)c(F)c3)CC2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.39
SPHK2 Q9NRA0 7/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 1/20 0.34
TYR P14679 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CNR2 P34972 3/20 0.31
CNR1 P21554 2/20 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
SCHEMBL10301610 0.96 SPHK1 (0.34) SPHK1SPHK2TYR
SCHEMBL10301607 0.89 SPHK1 (0.34) SPHK1SPHK2TYR
SCHEMBL12734938 0.89 CYP2C9 (0.36) SPHK1SPHK2MEN1MAPTKMT2A
SCHEMBL10301609 0.89 PANK3 (0.34) SPHK1
SCHEMBL10301606 0.89 EPHX2 (0.34) SPHK1
SCHEMBL10301638 0.88 TYR (0.38) SPHK1SPHK2MEN1TP53CYP3A4
SCHEMBL12733684 0.88 CYP2C9 (0.39) SPHK1SPHK2MEN1MAPTKMT2A
SCHEMBL10302077 0.87 SPHK1 (0.38) SPHK1SPHK2MEN1TP53CYP3A4
SCHEMBL10301616 0.86 KDM1A (0.40) SPHK1SPHK2TSHRCNR2CNR1
SCHEMBL10301613 0.86 SLC6A2 (0.37) SPHK1ALOX5CNR2CNR1

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-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 SPHK1 2309/4885SPHK2 2630/4885MEN1 1443/4885

“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.