SCHEMBL13922397

SCHEMBL13922397

C=CCCC1CC=C(c2ccc(OCCCC)c(F)c2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.32
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30
CNR1 P21554 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
SCHEMBL13922398 0.97 GABRA1 (0.32) CNR2GABRA1GABRB2
SCHEMBL8939381 0.96 CNR2 (0.34) CNR2GABRA1GABRB2CNR1
SCHEMBL13922400 0.96 GABRA1 (0.32) CNR2GABRA1GABRB2
SCHEMBL13922399 0.96 GABRA1 (0.32) CNR2GABRA1GABRB2
SCHEMBL13922396 0.95 GABRA1 (0.35) GABRA1GABRB2CCNT1CDK9
SCHEMBL13922449 0.94 CNR2 (0.31) CNR2
SCHEMBL8939380 0.93 GABRA1 (0.34) CNR2GABRA1GABRB2CNR1
SCHEMBL8939382 0.92 GABRA1 (0.33) CNR2GABRA1GABRB2CNR1
SCHEMBL8939385 0.92 GABRA1 (0.33) CNR2GABRA1GABRB2CNR1
SCHEMBL8939387 0.92 GABRA1 (0.33) CNR2GABRA1GABRB2CNR1

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-7510749-B2 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time CHISSO CORPORATION (JP) 2009-03-31 US disclosed
US-20080063814-A1 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time CHISSO CORPORATION 2008-03-13 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-20080063814-A1 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time POU2F2, HCN2, POU2F1 CNR2 673/4885PTGES 4394/4885ALOX5 2698/4885

“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.