SCHEMBL2211965

SCHEMBL2211965

C=C[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(OCC)c(F)c3F)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.32
HTR2C P28335 3/20 0.31
HTR2B P41595 2/20 0.31
HTR2A P28223 1/20 0.30
LMNA P02545 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
SCHEMBL15681398 1.00 KDM1A (0.32) KDM1AHTR2CHTR2BHTR2ALMNA
SCHEMBL1310984 1.00 KDM1A (0.32) KDM1AHTR2CHTR2BHTR2ALMNA
SCHEMBL22277165 0.96 KDM1A (0.30) KDM1A
SCHEMBL22277547 0.96 KDM1A (0.30) KDM1A
SCHEMBL12716574 0.96 KDM1A (0.34) KDM1AHTR2CHTR2BHTR2ALMNA
SCHEMBL14234488 0.96 KDM1A (0.34) KDM1AHTR2CHTR2BHTR2ALMNA
SCHEMBL22277170 0.94 OPRL1 (0.30)
SCHEMBL19421005 0.94 OPRL1 (0.30)
SCHEMBL12032385 0.94 KDM1A (0.33) KDM1AHTR2CHTR2BHTR2A
SCHEMBL13293486 0.92 KDM1A (0.33) KDM1AHTR2CHTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1903090-B1 Cyclohexene derivative having alkenyl, liquid crystal composition and liquid crystal display device JNC CORP (JP) 2011-07-27 EP disclosed
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
EP-1903090-A2 Cyclohexene derivative having alkenyl, liquid crystal composition and liquid crystal display device Chisso Corporation (JP) 2008-03-26 EP 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 KDM1A 1275/4885HTR2C 1237/4885HTR2B 3250/4885

“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.