SCHEMBL9928622

SCHEMBL9928622

CCCCCCCCC1OC1CCC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
EPHX1 P07099 1/20 0.43
SPHK1 Q9NYA1 7/20 0.42
SPHK2 Q9NRA0 6/20 0.42
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
POLB P06746 1/20 0.37
FASN P49327 1/20 0.37
DAGLA Q9Y4D2 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL9806406 1.00 ALDH1A1 (0.46) ALDH1A1EPHX1SPHK1SPHK2TSHR
SCHEMBL13513577 1.00 ALDH1A1 (0.46) ALDH1A1EPHX1SPHK1SPHK2TSHR
SCHEMBL6087782 1.00 ALDH1A1 (0.46) ALDH1A1EPHX1SPHK1SPHK2TSHR
SCHEMBL2397638 1.00 ALDH1A1 (0.46) ALDH1A1EPHX1SPHK1SPHK2TSHR
SCHEMBL9806410 1.00 ALDH1A1 (0.46) ALDH1A1EPHX1SPHK1SPHK2TSHR
SCHEMBL11435680 1.00 ALDH1A1 (0.46) ALDH1A1EPHX1SPHK1SPHK2TSHR
SCHEMBL51731 1.00 ALDH1A1 (0.46) ALDH1A1EPHX1SPHK1SPHK2TSHR
SCHEMBL9806415 1.00 ALDH1A1 (0.46) ALDH1A1EPHX1SPHK1SPHK2TSHR
SCHEMBL51551 0.97 ALDH1A1 (0.42) ALDH1A1EPHX1SPHK1SPHK2TSHR
SCHEMBL9011829 0.95 ALDH1A1 (0.41) ALDH1A1EPHX1SPHK1SPHK2TSHR

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
WO-2015168771-A1 CARDANOL GLYCIDYL ETHER DERIVATIVES CENTRE DE TECHNOLOGIE MINERALE ET DE PLASTURGIE INC. (CA) 2015-11-12 WO disclosed
CN-104725600-A The optical epoxy resin composition and cured product thereof NIPPON STEEL & SUMIKIN CHEM CO 2015-06-24 CN disclosed
US-20120149768-A1 PKC-ACTIVATING COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Blanchette Rockefeller Neurosciences Institute. 2012-06-14 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 (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-20120149768-A1 PKC-ACTIVATING COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PRKCH, PRKCA, PRKCG ALDH1A1 3269/4885EPHX1 303/4885SPHK1 183/4885

“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.