SCHEMBL14769508

SCHEMBL14769508

CCCCCCCCCCCC(C)(O)c1ccc2cc(OC)ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.48
CNR1 P21554 4/20 0.48
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ACAT1 P24752 1/20 0.40
SOAT1 P35610 1/20 0.40
CYP17A1 P05093 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL14761903 0.94 CNR1 (0.41) CNR2CNR1CYP17A1ALDH1A1
SCHEMBL14762264 0.90 ALDH1A1 (0.48) KDM4ECYP17A1ALDH1A1
SCHEMBL8756075 0.81 CNR2 (0.45) CNR2CNR1KDM4ETP53CYP3A4
SCHEMBL9080244 0.80 KDM4E (0.48) CNR2CNR1KDM4ETP53CYP3A4
SCHEMBL9420901 0.74 CYP1A2 (0.52) KDM4ETSHRCYP17A1
SCHEMBL19148406 0.74 AOC3 (0.59) MAPTALOX15ALDH1A1
SCHEMBL17295895 0.74 AOC3 (0.59) MAPTALOX15ALDH1A1
SCHEMBL10656156 0.74 KDM4E (0.46) KDM4EMAPTTSHR
SCHEMBL20313083 0.73 CNR2 (0.46) CNR2CNR1KDM4ETP53CYP3A4
SCHEMBL15355750 0.73 CNR2 (0.46) CNR2CNR1KDM4ETP53CYP3A4

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-9911927-B2 Compounds having semiconducting properties and related compositions and devices FLEXTERRA, INC. (US) 2018-03-06 US disclosed
US-20160351832-A1 Compounds Having Semiconducting Properties and Related Compositions and Devices USINVEST LLC 2016-12-01 US disclosed
US-20130062598-A1 Compounds Having Semiconducting Properties and Related Compositions and Devices POLYERA CORPORATION 2013-03-14 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 (2 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-20130062598-A1 Compounds Having Semiconducting Properties and Related Compositions and Devices NES, KCNN2, MYB CNR2 3238/4885CNR1 3388/4885KDM4E 3136/4885
US-20160351832-A1 Compounds Having Semiconducting Properties and Related Compositions and Devices NES, KCNN2, MYB CNR2 3238/4885CNR1 3388/4885KDM4E 3136/4885

“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.