SCHEMBL12926318

SCHEMBL12926318

COCCc1ccc(C2CCC(CCOC)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SPHK1 Q9NYA1 10/20 0.41
▸ CYP2C9 P11712 2/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX5 P09917 1/20 0.36
▸ SPHK2 Q9NRA0 6/20 0.36

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
SCHEMBL1981592 0.90 SPHK1 (0.47) ESR2SPHK1SPHK2
SCHEMBL12926323 0.87 SPHK1 (0.59) ALDH1A1LMNAMAPTSPHK1CYP2C9
SCHEMBL14141516 0.87 SPHK1 (0.49) ALDH1A1LMNAMAPTSPHK1CYP2C9
SCHEMBL12736263 0.87 ALDH1A1 (0.49) ESR2ALDH1A1LMNAMAPTSPHK1
SCHEMBL12926310 0.84 MAPT (0.44) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL12736264 0.83 SPHK1 (0.49) ALDH1A1LMNAMAPTSPHK1CYP2C9
SCHEMBL7912602 0.83 SPHK1 (0.40) ESR2ALDH1A1LMNAMAPTSPHK1
SCHEMBL7912597 0.83 SPHK1 (0.40) ESR2ALDH1A1LMNAMAPTSPHK1
SCHEMBL12736445 0.83 ALDH1A1 (0.46) ESR2ALDH1A1LMNAMAPTSPHK1
SCHEMBL9267879 0.82 DRD2 (0.45) ESR2ALDH1A1LMNAMAPTCYP2C9

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-8354147-B2 Polymerizable liquid crystal compound, composition and polymer JNC CORPORATION (JP) 2013-01-15 — — US disclosed
US-20110001088-A1 Polymerizable Liquid Crystal Compound, Composition and Polymer CHISSO CORPORATION (JP) 2011-01-06 — — 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-20110001088-A1 Polymerizable Liquid Crystal Compound, Composition and Polymer CCNT1, H1-0, CCNA1 ESR2 3078/4885ALDH1A1 1447/4885LMNA 328/4885

“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.

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