SCHEMBL12197212

SCHEMBL12197212

CCCCOc1ccc(-c2ccc(C3=CCC(C(=O)OC4CCC(c5ccc(C)c(F)c5F)CC4)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 12/20 0.36
▸ CCNT1 O60563 11/20 0.36
▸ SCN9A Q15858 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RORC P51449 2/20 0.30
▸ FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL14922622 0.94 CDK9 (0.34) CDK9CCNT1SCN9AALOX5APFEN1
SCHEMBL12197328 0.93 CDK9 (0.38) CDK9CCNT1RORC
SCHEMBL12197196 0.93 CDK9 (0.38) CDK9CCNT1RORC
SCHEMBL12197343 0.93 SCN9A (0.31) CDK9CCNT1SCN9AALOX5APFEN1
SCHEMBL12197216 0.91 CDK9 (0.36) CDK9CCNT1
SCHEMBL12197449 0.91 CCNT1 (0.31) CDK9CCNT1SCN9A
SCHEMBL12197473 0.91 CCNT1 (0.31) CDK9CCNT1SCN9A
SCHEMBL14922668 0.90 CDK9 (0.34) CDK9CCNT1RORCFFAR4
SCHEMBL14922604 0.89 CDK9 (0.37) CDK9CCNT1RORC
SCHEMBL12197231 0.89 SCN9A (0.36) SCN9AALOX5APFEN1LMNATSHR

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 76/4885SCN9A 2120/4885

“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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