SCHEMBL11939969

SCHEMBL11939969

O=C(Oc1ccc(-c2ccc(O)c(F)c2F)cc1F)C1CCC(c2ccc(O)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 4/20 0.34
▸ FEN1 P39748 4/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ PIN1 Q13526 1/20 0.33
▸ FFAR4 Q5NUL3 2/20 0.32
▸ HSD17B1 P14061 2/20 0.31
▸ STS P08842 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ HPGD P15428 3/20 0.31
▸ ATM Q13315 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ DHFR P00374 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
SCHEMBL11939246 0.91 FFAR4 (0.36) ALOX5APFEN1L3MBTL1MEN1KMT2A
SCHEMBL15381749 0.86 HPGD (0.41) ALOX5APFEN1FFAR4HPGD
SCHEMBL11939843 0.86 KMT2A (0.41) ALOX5APFEN1L3MBTL1MEN1KMT2A
SCHEMBL11938883 0.86 KMT2A (0.41) ALOX5APFEN1L3MBTL1MEN1KMT2A
SCHEMBL12223561 0.84 KMT2A (0.41) L3MBTL1MEN1KMT2ARAB9AESR1
SCHEMBL12223512 0.83 L3MBTL1 (0.39) L3MBTL1MEN1KMT2ARAB9AESR1
SCHEMBL11933378 0.82 HPGD (0.38) ALOX5APFEN1FFAR4HPGDLMNA
SCHEMBL12719887 0.82 HPGD (0.40) ALOX5APFEN1L3MBTL1KMT2ARAB9A
SCHEMBL15381588 0.81 HPGD (0.38) FFAR4HPGD
SCHEMBL11939154 0.81 ALOX5AP (0.40) ALOX5APFEN1MEN1KMT2APIN1

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 ALOX5AP 903/4885FEN1 1475/4885L3MBTL1 141/4885

“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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