SCHEMBL12197345

SCHEMBL12197345

CCCCOc1ccc(-c2ccc(C3=CCC(OC(=O)C4CC=C(c5ccc(C)c(F)c5F)CC4)CC3)cc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 17/20 0.35
▸ CCNT1 O60563 16/20 0.35
▸ RARB P10826 1/20 0.33
▸ PDE5A O76074 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 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
SCHEMBL14922566 0.96 CDK9 (0.34) CDK9CCNT1RARBPDE5AHDAC1
SCHEMBL12197216 0.95 CDK9 (0.36) CDK9CCNT1
SCHEMBL14922653 0.90 CDK9 (0.35) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL12197212 0.86 CDK9 (0.36) CDK9CCNT1
SCHEMBL12197343 0.85 SCN9A (0.31) CDK9CCNT1
SCHEMBL11933244 0.85 CDK9 (0.38) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL11933386 0.85 CDK9 (0.38) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL11933393 0.85 CDK9 (0.36) CDK9CCNT1RARB
SCHEMBL14922555 0.84 RAB9A (0.32) CDK9CCNT1
SCHEMBL11933368 0.84 RARB (0.36) CDK9CCNT1RARB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 — — US disclosed
US-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-10-06 — — 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-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE NCAPD3, CCND3, ZKSCAN2 CDK9 291/4885CCNT1 76/4885RARB 3800/4885

“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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