SCHEMBL11939357

SCHEMBL11939357

CCOc1ccc(-c2ccc(C(=O)OC3CCC(c4ccc(O)c(F)c4F)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SERPINE1 P05121 1/20 0.32
▸ CAMKK1 Q8N5S9 1/20 0.32
▸ CAMKK2 Q96RR4 1/20 0.32
▸ IKBKB O14920 1/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ MRGPRX1 Q96LB2 4/20 0.31
▸ TSPO P30536 2/20 0.31
▸ TYR P14679 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
▸ ACACB O00763 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ HTR3E A5X5Y0 1/20 0.31
▸ HTR3B O95264 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
SCHEMBL11939240 1.00 MAPT (0.35) MAPTSMN1; SMN2SERPINE1CAMKK1CAMKK2
SCHEMBL12223556 0.97 MAPT (0.33) MAPTSMN1; SMN2SERPINE1CAMKK1CAMKK2
SCHEMBL15381579 0.95 MAPT (0.37) MAPTSMN1; SMN2CAMKK1CAMKK2FPR2
SCHEMBL15381720 0.95 MAPT (0.37) MAPTSMN1; SMN2CAMKK1CAMKK2FPR2
SCHEMBL14922594 0.92 MAPT (0.36) MAPTSMN1; SMN2CAMKK1CAMKK2FPR2
SCHEMBL12836812 0.91 FPR2 (0.38) MAPTSMN1; SMN2CAMKK1CAMKK2FPR2
SCHEMBL12836057 0.91 FPR2 (0.38) MAPTSMN1; SMN2CAMKK1CAMKK2FPR2
SCHEMBL11939070 0.90 SERPINE1 (0.38) MAPTSERPINE1TYRKMT2A
SCHEMBL11939341 0.90 SERPINE1 (0.38) MAPTSERPINE1TYRKMT2A
SCHEMBL14922550 0.90 MAPT (0.40) MAPTSMN1; SMN2CAMKK1CAMKK2MRGPRX1

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 4683/4885SERPINE1 2077/4885

“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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