SCHEMBL10301632

SCHEMBL10301632

CCCCCCCCCOc1ccc(-c2ncc(-c3ccc(C)c(F)c3)cn2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 5/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ THRA P10827 2/20 0.36
▸ THRB P10828 2/20 0.36
▸ PPARD Q03181 2/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ PTPN6 P29350 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ESR1 P03372 2/20 0.34
▸ RARB P10826 2/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34

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
SCHEMBL10301626 0.89 KDM4E (0.40) PTPN11S1PR4S1PR1S1PR3S1PR5
SCHEMBL12113636 0.87 PTPN11 (0.43) PTPN11S1PR4S1PR1S1PR3S1PR5
SCHEMBL10301631 0.86 KDM4E (0.41) PTPN11S1PR4S1PR1S1PR3S1PR5
SCHEMBL7871760 0.84 CYP3A4 (0.39) PTPN11THRATHRBNPC1RAB9A
SCHEMBL7877662 0.84 CYP3A4 (0.39) PTPN11THRATHRBNPC1RAB9A
SCHEMBL6534766 0.83 NR5A1 (0.43) PTPN11THRATHRBPTPN1PTPN6
SCHEMBL7875959 0.83 CYP3A4 (0.39) PTPN11NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9341726 0.82 NR5A1 (0.40) THRATHRBNPC1RAB9ASMN1; SMN2
SCHEMBL17809785 0.82 THRB (0.38) PTPN11THRATHRBESR1
SCHEMBL7879454 0.82 CYP3A4 (0.38) PTPN11THRATHRBNPC1RAB9A

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 PTPN11 3878/4885S1PR4 2678/4885S1PR1 1915/4885

“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.

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