SCHEMBL12197274

SCHEMBL12197274

CCOc1ccc(C2CCC(c3ccc(OC(=O)C4CC=C(c5ccc(C)c(F)c5F)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 14/20 0.37
▸ CCNT1 O60563 13/20 0.37
▸ RORC P51449 2/20 0.33
▸ HPGD P15428 4/20 0.33

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
SCHEMBL12197273 0.93 HPGD (0.35) CDK9CCNT1HPGD
SCHEMBL11933383 0.93 CDK9 (0.40) CDK9CCNT1HPGD
SCHEMBL11933242 0.93 CDK9 (0.40) CDK9CCNT1HPGD
SCHEMBL12197275 0.92 CDK9 (0.34) CDK9CCNT1RORC
SCHEMBL12197196 0.91 CDK9 (0.38) CDK9CCNT1RORC
SCHEMBL12197328 0.91 CDK9 (0.38) CDK9CCNT1RORC
SCHEMBL14922661 0.91 CDK9 (0.34) CDK9CCNT1RORCHPGD
SCHEMBL14922588 0.88 HPGD (0.38) CDK9CCNT1HPGD
SCHEMBL15381543 0.87 CDK9 (0.39) CDK9CCNT1HPGD
SCHEMBL11933228 0.86 HPGD (0.40) 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 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 76/4885RORC 1085/4885

“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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