SCHEMBL1534530

SCHEMBL1534530

COc1ccc2c(=O)c(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.59
▸ CA2 P00918 5/20 0.59
▸ ALDH1A1 P00352 5/20 0.57
▸ KDM4E B2RXH2 4/20 0.57
▸ CYP3A4 P08684 4/20 0.57
▸ MAPT P10636 4/20 0.57
▸ HPGD P15428 4/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ CYP2C9 P11712 3/20 0.57
▸ CYP2C19 P33261 3/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ THRB P10828 1/20 0.57
▸ TP53 P04637 2/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ CYP19A1 P11511 6/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47

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
SCHEMBL1534693 0.92 ALDH1A1 (0.57) CA1CA2ALDH1A1KDM4ECYP3A4
SCHEMBL12273995 0.87 CA1 (0.43) CA1CA2ALDH1A1KDM4ECYP3A4
SCHEMBL1534562 0.87 MEN1 (0.45) CA1CA2ALDH1A1KDM4ECYP3A4
SCHEMBL28566115 0.86 ALDH1A1 (0.76) CA1CA2ALDH1A1KDM4ECYP3A4
SCHEMBL29768227 0.86 ALDH1A1 (0.76) CA1CA2ALDH1A1KDM4ECYP3A4
SCHEMBL1534656 0.85 PLA2G2A (0.46) CA1CA2ALDH1A1KDM4ECYP3A4
SCHEMBL1534675 0.85 MAPK14 (0.47) CA1CA2PLA2G2APLA2G4AAKT1
SCHEMBL1535049 0.84 PLA2G2A (0.46) CA1CA2ALDH1A1KDM4ECYP3A4
Hydrochloric Acid SCHEMBL12273214 0.84 MAPK14 (0.46) CA1CA2PLA2G2APLA2G4AAKT1
SCHEMBL1535048 0.84 AKT1 (0.42) CA1CA2ALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546376-B2 Pharmaceutical compounds ALMAC DISCOVERY LIMITED (GB) 2013-10-01 — — US claimed
US-20120238541-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2012-09-20 — — US claimed
EP-2473495-A1 PHARMACEUTICAL COMPOUNDS Almac Discovery Limited (GB) 2012-07-11 — — EP claimed
WO-2011033265-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2011-03-24 — — WO claimed
US-8546376-B2 Pharmaceutical compounds ALMAC DISCOVERY LIMITED (GB) 2013-10-01 — — US disclosed
US-8546376-B2 Pharmaceutical compounds ALMAC DISCOVERY LIMITED (GB) 2013-10-01 — — US disclosed
US-8546376-B2 Pharmaceutical compounds ALMAC DISCOVERY LIMITED (GB) 2013-10-01 — — US disclosed
US-20120238541-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2012-09-20 — — US disclosed
US-20120238541-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2012-09-20 — — US disclosed
US-20120238541-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2012-09-20 — — US disclosed
EP-2473495-A1 PHARMACEUTICAL COMPOUNDS Almac Discovery Limited (GB) 2012-07-11 — — EP disclosed
WO-2011033265-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2011-03-24 — — WO disclosed
WO-2011033265-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2011-03-24 — — WO 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-20120238541-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PLK1, MTOR CA1 2381/4885CA2 1167/4885ALDH1A1 4088/4885

“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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