SCHEMBL8938369

SCHEMBL8938369

C=CCCC1CC=C(c2ccc(-c3ccc(-c4ccc(OC)c(F)c4F)cc3)cc2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.34
CDK9 P50750 5/20 0.34
NAAA Q02083 3/20 0.34
TDP2 O95551 1/20 0.32
ESR2 Q92731 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
CYP17A1 P05093 1/20 0.30
HTR2C P28335 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
SCHEMBL8937060 0.93 CCNT1 (0.34) CCNT1CDK9NAAAESR2
SCHEMBL8939367 0.92 ESR2 (0.34) CCNT1CDK9ESR2
SCHEMBL8938315 0.92 NAAA (0.33) CCNT1CDK9NAAAESR2
SCHEMBL8966677 0.90 NAAA (0.32) CCNT1CDK9NAAAGRIN1GRIN2B
SCHEMBL8938171 0.90 CCNT1 (0.34) CCNT1CDK9NAAATDP2ESR2
SCHEMBL8938358 0.89 GABRA1 (0.35)
SCHEMBL8938471 0.88 CNR2 (0.33) CCNT1CDK9
SCHEMBL8937308 0.88 NAAA (0.36) CCNT1CDK9NAAATDP2ESR2
SCHEMBL12511851 0.88 CCNT1 (0.35) CCNT1CDK9
SCHEMBL8938476 0.88 GABRA1 (0.33)

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 775/4885NAAA 4128/4885

“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.