SCHEMBL16470197

SCHEMBL16470197

C=CCOc1oc2ccccc2c1OCC=C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.54
CA1 P00915 6/20 0.54
CA9 Q16790 6/20 0.54
CYP3A4 P08684 1/20 0.50
CYP2A6 P11509 1/20 0.50
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
AGER Q15109 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL5675273 0.76 CA12 (0.46) CA12CA1CA9CYP3A4CYP2A6
SCHEMBL6560676 0.75 CA12 (0.60) CA12CA1CA9CYP3A4CYP2A6
SCHEMBL11659593 0.75 CA1 (0.52) CA12CA1CA9CYP3A4CYP2A6
SCHEMBL4008731 0.71 ABCG2 (0.60) CA12CA1CA9CYP3A4HPGD
SCHEMBL3328856 0.70 MAOA (0.56) CA12CA1CA9CYP3A4CYP2A6
SCHEMBL8515316 0.70 CA12 (1.00) CA12CA1CA9CYP3A4CYP2A6
SCHEMBL29393962 0.70 CA12 (1.00) CA12CA1CA9CYP3A4CYP2A6
SCHEMBL10518773 0.70 CA12 (0.47) CA12CA1CA9CYP3A4CYP2A6
SCHEMBL8512283 0.70 CA12 (1.00) CA12CA1CA9CYP3A4CYP2A6
SCHEMBL7128768 0.68 HPGD (0.45) CA12CA1CA9HPGDALDH1A1

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-9206201-B2 Boronic acid bearing liphagane compounds as inhibitors of P13K-α and/or β COUNSEL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-08 US disclosed
US-20150051173-A1 BORONIC ACID BEARING LIPHAGANE COMPOUNDS AS INHIBITORS OF P13K- a AND/OR B COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-02-19 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-20150051173-A1 BORONIC ACID BEARING LIPHAGANE COMPOUNDS AS INHIBITORS OF P13K- a AND/OR B PIK3CA, PIK3C2A, PI4KA CA12 3853/4885CA1 2305/4885CA9 958/4885

“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.