SCHEMBL11939113

SCHEMBL11939113

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.33
▸ TP53 P04637 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10302861 0.92 ACACB (0.31) ACACB
SCHEMBL10303398 0.92 TP53 (0.34) ACACBTP53LMNAHTTSMN1; SMN2
SCHEMBL12223403 0.92 TP53 (0.34) ACACBTP53LMNAHTTSMN1; SMN2
SCHEMBL11939307 0.91 TUBB1 (0.38) ACACBLMNA
SCHEMBL11939394 0.91 KDM1A (0.35) TP53
SCHEMBL15381847 0.89 KDM1A (0.35) ACACBLMNASMN1; SMN2
SCHEMBL11939217 0.87 FPR2 (0.36) ACACBTP53LMNAHTTSMN1; SMN2
SCHEMBL11938887 0.85 MAOA (0.32) ACACBTP53LMNAHTTSMN1; SMN2
SCHEMBL12223501 0.85 CNR2 (0.40) —
SCHEMBL10302846 0.85 CNR2 (0.40) —

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
EP-2479162-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2012-07-25 — — EP 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 ACACB 2039/4885TP53 2985/4885LMNA 1327/4885

“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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