SCHEMBL9978885

SCHEMBL9978885

CCC[C@H]1CC[C@H](C=Cc2ccc(OCC)c(F)c2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.32

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
SCHEMBL9978884 1.00 KDM1A (0.32) KDM1A
SCHEMBL9978887 1.00 KDM1A (0.32) KDM1A
SCHEMBL28579998 1.00 KDM1A (0.32) KDM1A
SCHEMBL22277283 0.96
SCHEMBL12350953 0.96
SCHEMBL22277648 0.93 CYP2C9 (0.40) KDM1A
SCHEMBL12738984 0.92 ALDH1A1 (0.30)
SCHEMBL12734022 0.92 ALDH1A1 (0.30)
SCHEMBL12350949 0.91 ALOX5 (0.36)
SCHEMBL12350955 0.90 ALDH1A1 (0.35)

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-8304037-B2 Trans-monofluoroethylene liquid crystal compound having negative dielectric anisotropy, a liquid crystal composition using the compound and a liquid crystal display device JNC CORPORATION (JP) 2012-11-06 US disclosed
US-20110291047-A1 Trans-Monofluoroethylene Liquid Crystal Compound Having Negative Dielectric Anisotropy, A Liquid Crystal Composition Using The Compound And A Liquid Crystal Display Device CHISSO PETROCHEMICAL CORPORATION (JP) 2011-12-01 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-20110291047-A1 Trans-Monofluoroethylene Liquid Crystal Compound Having Negative Dielectric Anisotropy, A Liquid Crystal Composition Using The Compound And A Liquid Crystal Display Device TEC, PIEZO1, PYM1 KDM1A 2840/4885

“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.