SCHEMBL12735658

SCHEMBL12735658

CCCCCCCOc1ccc(-c2ccc(CCc3ccc(-c4ccc(C)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.44
RARB P10826 4/20 0.40
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
PTPN11 Q06124 4/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RAD52 P43351 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
S1PR3 Q99500 2/20 0.38
S1PR2 O95136 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
S1PR4 O95977 1/20 0.37
S1PR5 Q9H228 1/20 0.37
THRB P10828 2/20 0.36

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
SCHEMBL12735662 1.00 S1PR1 (0.44) S1PR1RARBRARARARGPTPN11
SCHEMBL12735661 1.00 S1PR1 (0.44) S1PR1RARBRARARARGPTPN11
SCHEMBL12735657 0.99 S1PR1 (0.44) S1PR1RARBRARARARGPTPN11
SCHEMBL12735656 0.96 S1PR1 (0.47) S1PR1RARBRARARARGPTPN11
SCHEMBL12735589 0.91 MAPT (0.39) S1PR1RARBPTPN11PTPN1PTPN6
SCHEMBL12740113 0.91 MAPT (0.39) S1PR1RARBPTPN11PTPN1PTPN6
SCHEMBL12740112 0.91 MAPT (0.39) S1PR1RARBPTPN11PTPN1PTPN6
SCHEMBL12740115 0.91 MAPT (0.39) S1PR1RARBPTPN11PTPN1PTPN6
SCHEMBL12735584 0.91 MAPT (0.39) S1PR1RARBPTPN11PTPN1PTPN6
SCHEMBL12735595 0.91 MAPT (0.39) S1PR1RARBPTPN11PTPN1PTPN6

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 S1PR1 1190/4885RARB 2705/4885RARA 2089/4885

“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.