SCHEMBL9972156

SCHEMBL9972156

COCCOC(CO)CO

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
LPAR6 P43657 2/20 0.30
LPAR1 Q92633 2/20 0.30
LPAR4 Q99677 2/20 0.30
LPAR5 Q9H1C0 2/20 0.30
LPAR2 Q9HBW0 2/20 0.30
LPAR3 Q9UBY5 2/20 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
SCHEMBL28711889 0.93 ALDH1A1 (0.35) ALDH1A1CNR1CNR2
SCHEMBL28961623 0.87 ALDH1A1 (0.35) ALDH1A1CNR1CNR2LPAR6LPAR1
SCHEMBL29654526 0.85 ALDH1A1 (0.31) ALDH1A1CNR1CNR2
SCHEMBL25486764 0.85 ALDH1A1 (0.31) ALDH1A1CNR1CNR2
SCHEMBL8959151 0.84 LPAR1 (0.35) ALDH1A1CNR1CNR2LPAR6LPAR1
SCHEMBL22873988 0.82 LPAR1 (0.34) ALDH1A1CNR1CNR2LPAR6LPAR1
SCHEMBL8959178 0.82 LPAR1 (0.34) ALDH1A1CNR1CNR2LPAR6LPAR1
SCHEMBL20026318 0.82 LPAR1 (0.34) ALDH1A1CNR1CNR2LPAR6LPAR1
SCHEMBL8959138 0.82 LPAR1 (0.34) ALDH1A1CNR1CNR2LPAR6LPAR1
SCHEMBL5433812 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020240392-A1 PROCESS FOR PREPARATION OF PYROXASULFONE PI INDUSTRIES LIMITED (IN) 2020-12-03 WO disclosed
US-8895068-B2 Nanoparticle composition and associated methods thereof GENERAL ELECTRIC COMPANY (US) 2014-11-25 US disclosed
US-8889103-B2 Diagnostic agent composition and associated methods thereof GENERAL ELECTRIC COMPANY (US) 2014-11-18 US disclosed
US-20120156141-A1 NANOPARTICLE COMPOSITION AND ASSOCIATED METHODS THEREOF GENERAL ELECTRIC COMPANY (US) 2012-06-21 US disclosed
US-20120156142-A1 DIAGNOSTIC AGENT COMPOSITION AND ASSOCIATED METHODS THEREOF GENERAL ELECTRIC COMPANY (US) 2012-06-21 US disclosed
US-20110124593-A1 Methods for determining chemotherapeutic agents targeting alpha-glucan pathways and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE 2011-05-26 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-20120156142-A1 DIAGNOSTIC AGENT COMPOSITION AND ASSOCIATED METHODS THEREOF PHOSPHO1, PHAX, PIK3CA ALDH1A1 4843/4885CNR1 2113/4885CNR2 1651/4885
US-20120156141-A1 NANOPARTICLE COMPOSITION AND ASSOCIATED METHODS THEREOF PHOSPHO1, PIK3CA, PTEN ALDH1A1 4846/4885CNR1 3909/4885CNR2 3793/4885

“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.