SCHEMBL11939155

SCHEMBL11939155

CCCC(O)c1ccc(C2CCC(c3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3)CC2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.35
FPR2 P25090 4/20 0.34
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
DHODH Q02127 1/20 0.31
PDE4A P27815 2/20 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
SCHEMBL11939128 0.91 FPR2 (0.34) FPR2PDE4A
SCHEMBL10303367 0.90 KDM1A (0.39) KDM1AFPR2PDE4A
SCHEMBL11939244 0.90 KDM1A (0.35) KDM1APDE4A
SCHEMBL11939000 0.89 KDM1A (0.37) KDM1AFPR2PTGS1PTGS2DHODH
SCHEMBL10091384 0.88 FPR2 (0.35) KDM1AFPR2
SCHEMBL10091407 0.88 KDM1A (0.41) KDM1AFPR2PDE4A
SCHEMBL12223288 0.88 FPR2 (0.33) FPR2
SCHEMBL15381671 0.88 KDM1A (0.44) KDM1AFPR2PTGS1PTGS2DHODH
SCHEMBL11939012 0.87 NAAA (0.35) KDM1A
SCHEMBL11938866 0.87 ALOX5AP (0.33)

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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 US disclosed
WO-2011033937-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2011-03-24 WO 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 KDM1A 1622/4885FPR2 804/4885PTGS1 3289/4885

“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.