SCHEMBL11933255

SCHEMBL11933255

CCOc1ccc(-c2ccc(C3CCC(OC(=O)c4ccc(C)c(F)c4F)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALOX5AP P20292 2/20 0.33
▸ FEN1 P39748 2/20 0.33
▸ HPGD P15428 1/20 0.32
▸ CAMKK1 Q8N5S9 1/20 0.32
▸ CAMKK2 Q96RR4 1/20 0.32
▸ SGPL1 O95470 1/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ PDE2A O00408 2/20 0.31
▸ MRGPRX1 Q96LB2 3/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ TSPO P30536 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ NOTUM Q6P988 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
SCHEMBL11933347 1.00 MAPT (0.37) MAPTSMN1; SMN2ALOX5APFEN1HPGD
SCHEMBL12197264 0.97 MAPT (0.35) MAPTSMN1; SMN2ALOX5APFEN1HPGD
SCHEMBL12197181 0.96 MAPT (0.39) MAPTSMN1; SMN2HPGDCAMKK1CAMKK2
SCHEMBL15381579 0.95 MAPT (0.37) MAPTSMN1; SMN2ALOX5APFEN1CAMKK1
SCHEMBL15381720 0.95 MAPT (0.37) MAPTSMN1; SMN2ALOX5APFEN1CAMKK1
SCHEMBL10091366 0.93 MAPT (0.37) MAPTSMN1; SMN2HPGDCAMKK1CAMKK2
SCHEMBL11933349 0.92 SCN9A (0.37) MAPTSMN1; SMN2ALOX5APFEN1TP53
SCHEMBL11933258 0.92 SCN9A (0.37) MAPTSMN1; SMN2ALOX5APFEN1TP53
SCHEMBL14922594 0.92 MAPT (0.36) MAPTSMN1; SMN2ALOX5APFEN1CAMKK1
SCHEMBL12836812 0.91 FPR2 (0.38) MAPTSMN1; SMN2CAMKK1CAMKK2FPR2

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-8580147-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 — — US disclosed
US-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 — — 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 MAPT 1566/4885SMN1; SMN2 4683/4885ALOX5AP 903/4885

“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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