SCHEMBL11939185

SCHEMBL11939185

CCOc1ccc(-c2ccc(C3=CCC(C(=O)Oc4ccc(C(C)O)c(F)c4F)CC3)cc2F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ CDK9 P50750 9/20 0.34
▸ CCNT1 O60563 8/20 0.34
▸ PDE10A Q9Y233 6/20 0.34
▸ PTGS2 P35354 2/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ CYP2C9 P11712 2/20 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
SCHEMBL11938852 0.93 CDK9 (0.34) PDE5AHDAC1HDAC6CDK9CCNT1
SCHEMBL15381568 0.93 PDE5A (0.40) PDE5AHDAC1HDAC6CDK9CCNT1
SCHEMBL11939017 0.91 PDE5A (0.37) PDE5AHDAC1HDAC6CDK9CCNT1
SCHEMBL11939367 0.90 CDK9 (0.35) PDE5AHDAC1HDAC6CDK9CCNT1
SCHEMBL11939278 0.90 CDK9 (0.34) PDE5AHDAC1HDAC6CDK9CCNT1
SCHEMBL11933247 0.89 CDK9 (0.38) PDE5AHDAC1HDAC6CDK9CCNT1
SCHEMBL11938888 0.88 FFAR4 (0.34) PDE5AHDAC1HDAC6CDK9CCNT1
SCHEMBL15381667 0.88 PDE5A (0.39) PDE5AHDAC1HDAC6CDK9CCNT1
SCHEMBL12836692 0.88 PIM1 (0.31) —
SCHEMBL15381523 0.86 CDK9 (0.37) PDE5AHDAC1HDAC6CDK9CCNT1

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 PDE5A 3350/4885HDAC1 1930/4885HDAC6 4468/4885

“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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