SCHEMBL11938883

SCHEMBL11938883

O=C(Oc1ccc(-c2ccc(O)c(F)c2F)c(F)c1F)C1CCC(c2ccc(O)c(F)c2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HPGD P15428 4/20 0.32
▸ ATM Q13315 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ ADORA1 P30542 1/20 0.30
▸ STS P08842 1/20 0.30
▸ HSD17B1 P14061 1/20 0.30
▸ HSD17B2 P37059 1/20 0.30
▸ ELANE P08246 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
SCHEMBL11939843 1.00 KMT2A (0.41) KMT2AL3MBTL1MEN1RAB9AESR1
SCHEMBL12223512 0.96 L3MBTL1 (0.39) KMT2AL3MBTL1MEN1RAB9AESR1
SCHEMBL12223561 0.95 KMT2A (0.41) KMT2AL3MBTL1MEN1RAB9AESR1
SCHEMBL11939247 0.92 HPGD (0.40) KMT2AL3MBTL1MEN1RAB9AESR1
SCHEMBL11939956 0.92 HPGD (0.40) KMT2AL3MBTL1MEN1RAB9AESR1
SCHEMBL12223335 0.89 HPGD (0.39) KMT2AL3MBTL1MEN1RAB9AESR1
SCHEMBL12222986 0.87 ESR1 (0.34) KMT2AL3MBTL1MEN1RAB9AESR1
SCHEMBL12224669 0.87 L3MBTL1 (0.36) KMT2AL3MBTL1MEN1RAB9AESR1
SCHEMBL11939969 0.86 ALOX5AP (0.34) KMT2AL3MBTL1MEN1RAB9AESR1
SCHEMBL11939246 0.86 FFAR4 (0.36) KMT2AL3MBTL1MEN1RAB9AESR1

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 KMT2A 2912/4885L3MBTL1 141/4885MEN1 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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