SCHEMBL11939396

SCHEMBL11939396

O=C(OC1CC=C(c2ccc(O)c(F)c2F)CC1)c1ccc(-c2ccc(O)c(F)c2F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.36
▸ SERPINE1 P05121 2/20 0.33
▸ ACMSD Q8TDX5 2/20 0.32
▸ HSD17B14 Q9BPX1 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ DHFR P00374 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TTR P02766 1/20 0.32
▸ ALB P02768 1/20 0.32
▸ HMGB1 P09429 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CXCL12 P48061 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ SLC22A6 Q4U2R8 1/20 0.32

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
SCHEMBL11939345 0.93 KDM4E (0.33) NAAASERPINE1ACMSDHSD17B14KDM4E
SCHEMBL11939028 0.87 SERPINE1 (0.31) SERPINE1
SCHEMBL11938882 0.87 SERPINE1 (0.31) SERPINE1
SCHEMBL11938860 0.87 SERPINE1 (0.32) NAAASERPINE1ACMSDKDM4EMEN1
SCHEMBL15381540 0.85 NAAA (0.39) NAAA
SCHEMBL11939266 0.82 SERPINE1 (0.37) SERPINE1MEN1KMT2A
SCHEMBL11933366 0.81 NAAA (0.37) NAAA
SCHEMBL15381656 0.81 RARA (0.38) NAAA
SCHEMBL11939202 0.80 NAAA (0.35) NAAA
SCHEMBL11933367 0.80 NAAA (0.35) NAAA

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 NAAA 4102/4885SERPINE1 2077/4885ACMSD 1310/4885

“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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