SCHEMBL11939174

SCHEMBL11939174

CCCC(O)c1ccc(OC(=O)C2CCC(c3ccc(-c4ccc(O)c(F)c4F)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL11938884 1.00 HPGD (0.33) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL12224647 0.97 HPGD (0.31) HPGD
SCHEMBL12223359 0.96 HPGD (0.34) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL11939255 0.93 HPGD (0.37) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL11939136 0.93 HPGD (0.37) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL12222963 0.90 TYR (0.31) —
SCHEMBL12223568 0.90 TYR (0.31) —
SCHEMBL12836562 0.89 HPGD (0.32) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL12224194 0.89 HPGD (0.39) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL12823247 0.88 PDE4A (0.31) HPGD

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 HPGD 3893/4885MEN1 1685/4885RAB9A 1106/4885

“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.

Send feedback