SCHEMBL10301631

SCHEMBL10301631

CCCCCCCOc1ccc(-c2ccc(-c3ccc(C)c(F)c3)nc2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ S1PR4 O95977 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ S1PR5 Q9H228 1/20 0.40
▸ PTPN11 Q06124 6/20 0.39
▸ ESR1 P03372 2/20 0.38
▸ DGAT1 O75907 2/20 0.38
▸ RAB9A P51151 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 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
SCHEMBL10301626 0.92 KDM4E (0.40) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL12113636 0.89 PTPN11 (0.43) S1PR4S1PR1S1PR3S1PR5PTPN11
SCHEMBL10301632 0.86 PTPN11 (0.39) KDM4ES1PR4S1PR1S1PR3S1PR5
SCHEMBL10301627 0.81 DGAT1 (0.37) DGAT1KMO
SCHEMBL10302561 0.80 HDAC1 (0.37) S1PR4S1PR1S1PR3S1PR5PTPN11
SCHEMBL10302306 0.80 GABRA1 (0.39) PTPN11
SCHEMBL10302035 0.80 S1PR1 (0.36) KDM4EALDH1A1HTTS1PR4S1PR1
SCHEMBL10302037 0.80 RARB (0.44) ALDH1A1HTTS1PR1S1PR3PTPN11
SCHEMBL10302036 0.80 RARB (0.44) ALDH1A1HTTS1PR1S1PR3PTPN11
SCHEMBL10302199 0.80 PTPN11 (0.36) S1PR4S1PR1S1PR3S1PR5PTPN11

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 KDM4E 2638/4885ALDH1A1 1806/4885HPGD 4792/4885

“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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