SCHEMBL11938879

SCHEMBL11938879

O=C(OC1CCC(c2ccc(O)c(F)c2F)CC1)c1ccc(-c2ccc(O)c(F)c2F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 2/20 0.39
▸ NAAA Q02083 2/20 0.37
▸ KMT2A Q03164 2/20 0.35
▸ ACMSD Q8TDX5 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ DHFR P00374 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TTR P02766 1/20 0.35
▸ ALB P02768 1/20 0.35
▸ HMGB1 P09429 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CXCL12 P48061 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ SLC22A6 Q4U2R8 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL11939027 0.91 SERPINE1 (0.39) SERPINE1NAAAKMT2AACMSDKDM4E
SCHEMBL11939070 0.86 SERPINE1 (0.38) SERPINE1KMT2AMEN1PIN1HSD17B14
SCHEMBL11939341 0.86 SERPINE1 (0.38) SERPINE1KMT2AMEN1PIN1HSD17B14
SCHEMBL15381766 0.85 NAAA (0.41) NAAAFFAR4
SCHEMBL12224040 0.83 SERPINE1 (0.36) SERPINE1KMT2ATYRTP53
SCHEMBL12822650 0.82 NAAA (0.48) NAAAKDM4E
SCHEMBL11933354 0.81 NAAA (0.38) NAAAFFAR4SLC6A3
SCHEMBL11938877 0.81 SERPINE1 (0.45) SERPINE1KMT2AMEN1TYRALOX5AP
SCHEMBL11939154 0.81 ALOX5AP (0.40) KMT2AACMSDKDM4EMEN1USP2
SCHEMBL15381581 0.81 SCN9A (0.41) NAAAFFAR4

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 SERPINE1 2077/4885NAAA 4102/4885KMT2A 2912/4885

“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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