SCHEMBL8937308

SCHEMBL8937308

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 6/20 0.36
CCNT1 O60563 5/20 0.34
CDK9 P50750 5/20 0.34
TDP2 O95551 1/20 0.34
ESR2 Q92731 1/20 0.33
CYP17A1 P05093 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
HTR2C P28335 1/20 0.32
PTGS2 P35354 2/20 0.31
FAAH O00519 1/20 0.31
PTGS1 P23219 1/20 0.31
HSD17B1 P14061 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
SCHEMBL8937652 0.93 NAAA (0.34) NAAACCNT1CDK9TDP2ESR2
SCHEMBL8935972 0.93 ESR2 (0.36) NAAACCNT1CDK9ESR2GRIN1
SCHEMBL8937869 0.92 MGLL (0.35) NAAACCNT1CDK9TDP2ESR2
SCHEMBL8932600 0.92 NAAA (0.35) NAAACCNT1CDK9ESR2
SCHEMBL8938718 0.92 ESR2 (0.36) CCNT1CDK9ESR2
SCHEMBL8937450 0.90 ESR2 (0.32) NAAACCNT1CDK9ESR2HTR2C
SCHEMBL8965426 0.89 NAAA (0.33) NAAACCNT1CDK9TDP2GRIN1
SCHEMBL8937484 0.89 RARB (0.34) NAAACCNT1CDK9ESR2
SCHEMBL8941582 0.88 PTPN11 (0.32) CCNT1CDK9ESR2
SCHEMBL8938369 0.88 CCNT1 (0.34) NAAACCNT1CDK9TDP2ESR2

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 NAAA 4128/4885CCNT1 946/4885CDK9 775/4885

“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.