SCHEMBL11939271

SCHEMBL11939271

CCOc1ccc(-c2ccc(OC(=O)C3CCC(c4ccc(C(C)O)c(F)c4F)CC3)c(F)c2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.37
▸ CAMKK1 Q8N5S9 1/20 0.34
▸ CAMKK2 Q96RR4 1/20 0.34
▸ FFAR4 Q5NUL3 6/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ BDKRB1 P46663 1/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ GLA P06280 1/20 0.32
▸ SSTR5 P35346 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ PDE10A Q9Y233 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
SCHEMBL11939340 0.94 HPGD (0.37) HPGDCAMKK1CAMKK2FFAR4FPR2
SCHEMBL15381749 0.93 HPGD (0.41) HPGDCAMKK1CAMKK2FFAR4FPR2
SCHEMBL11938885 0.91 HPGD (0.35) HPGDCAMKK1CAMKK2FFAR4FPR2
SCHEMBL11939333 0.90 HPGD (0.39) HPGDFPR2PTGS2PTGS1LMNA
SCHEMBL11939267 0.90 HPGD (0.39) HPGDFPR2PTGS2PTGS1LMNA
SCHEMBL12836568 0.89 PIM1 (0.32) FPR2
SCHEMBL11933378 0.88 HPGD (0.38) HPGDCAMKK1CAMKK2FFAR4FPR2
SCHEMBL11939002 0.88 FPR2 (0.38) CAMKK1CAMKK2FFAR4FPR2PTGS2
SCHEMBL12223357 0.88 HPGD (0.41) HPGDLMNAALOX15GLASSTR5
SCHEMBL15381588 0.88 HPGD (0.38) HPGDCAMKK1CAMKK2FFAR4FPR2

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 3893/4885CAMKK1 2966/4885CAMKK2 3813/4885

“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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