SCHEMBL11939307

SCHEMBL11939307

CCOc1ccc(/C=C/c2ccc(C3CCC(c4ccc(C(C)O)c(F)c4F)CC3)c(F)c2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 4/20 0.38
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ACACB O00763 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ ABL1 P00519 1/20 0.30
▸ ABCB1 P08183 1/20 0.30
▸ BCR P11274 1/20 0.30
▸ IGF1R P08069 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TOP2A P11388 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
SCHEMBL15381775 0.91 TUBB1 (0.44) TUBB1KMT2AMEN1PKMKDM4E
SCHEMBL11939113 0.91 ACACB (0.33) ACACBLMNA
SCHEMBL11939394 0.86 KDM1A (0.35) —
SCHEMBL11933594 0.86 TUBB1 (0.41) TUBB1KMT2AMEN1GAAABL1
SCHEMBL15381778 0.85 TUBB1 (0.40) TUBB1KMT2AMEN1KDM4EGAA
SCHEMBL12836065 0.84 — —
SCHEMBL10302861 0.84 ACACB (0.31) ACACB
SCHEMBL18175670 0.83 TUBB1 (0.39) TUBB1KMT2AMEN1KDM4EGAA
SCHEMBL10303398 0.83 TP53 (0.34) KMT2AMEN1ACACBMAPTLMNA
SCHEMBL12223403 0.83 TP53 (0.34) KMT2AMEN1ACACBMAPTLMNA

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 1 patent. 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

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 TUBB1 1637/4885KMT2A 2912/4885MEN1 1685/4885

“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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