SCHEMBL8932708

SCHEMBL8932708

CCCCOC1CC=C(c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.37
CDK9 P50750 3/20 0.37
ESR1 P03372 1/20 0.34
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
NLRP3 Q96P20 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
NAAA Q02083 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
SCHEMBL8939271 0.97 CCNT1 (0.38) CCNT1CDK9ESR1NPC1CASP3
SCHEMBL11026629 0.96 CCNT1 (0.37) CCNT1CDK9ESR1
SCHEMBL8939274 0.95 CCNT1 (0.37) CCNT1CDK9ESR1
SCHEMBL8939277 0.95 CCNT1 (0.37) CCNT1CDK9ESR1
SCHEMBL11023774 0.95 CCNT1 (0.37) CCNT1CDK9ESR1
SCHEMBL11025772 0.92 NAAA (0.38) CCNT1CDK9ESR1NPC1CASP3
SCHEMBL8939261 0.92 CCNT1 (0.41) CCNT1CDK9ESR1NAAA
SCHEMBL14766480 0.91 CCNT1 (0.33) CCNT1CDK9ESR1NAAA
SCHEMBL14766771 0.88 CCNT1 (0.33) CCNT1CDK9
SCHEMBL15257932 0.87 CCNT1 (0.34) CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 CCNT1 946/4885CDK9 775/4885ESR1 1792/4885

“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.