SCHEMBL12240937

SCHEMBL12240937

CCOc1ccc2oc3ccc(OCN)cc3c(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.58
▸ ALDH1A1 P00352 6/20 0.58
▸ HPGD P15428 6/20 0.58
▸ NPC1 O15118 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ MAPT P10636 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ CASP3 P42574 1/20 0.57
▸ SENP8 Q96LD8 1/20 0.57
▸ SENP7 Q9BQF6 1/20 0.57
▸ SENP6 Q9GZR1 1/20 0.57
▸ MAOA P21397 1/20 0.50
▸ TP53 P04637 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA4 P22748 1/20 0.48
▸ CA6 P23280 1/20 0.48
▸ CA5A P35218 1/20 0.48

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
SCHEMBL12240938 0.88 CYP1A2 (0.55) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL392389 0.85 MAOA (0.70) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL30130333 0.85 MAOA (0.70) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL10895137 0.80 KDM4E (0.62) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL1798063 0.80 NPC1 (0.57) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL12240985 0.79 KDM4E (0.54) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL12240936 0.79 KDM4E (0.54) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL15003206 0.79 CYP1A2 (0.62) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL10454060 0.79 PARP10 (0.51) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL1798229 0.78 ACSL1 (0.58) KDM4EALDH1A1HPGDNPC1RAB9A

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-8741659-B2 Composition for measuring the binding affinity between nucleic acid and test substance, and use thereof OSAKA UNIVERSITY (JP) 2014-06-03 — — US disclosed
US-20120238029-A1 COMPOSITION FOR MEASURING THE BINDING AFFINITY BETWEEN NUCLEIC ACID AND TEST SUBSTANCE, AND USE THEREOF OSAKA UNIVERSITY (JP) 2012-09-20 — — US disclosed
US-20110263041-A1 COMPOSITION FOR MEASURING THE BINDING AFFINITY BETWEEN NUCLEIC ACID AND TEST SUBSTANCE, AND USE THEREOF OSAKA UNIVERSITY (JP) 2011-10-27 — — 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-20110263041-A1 COMPOSITION FOR MEASURING THE BINDING AFFINITY BETWEEN NUCLEIC ACID AND TEST SUBSTANCE, AND USE THEREOF RBM3, HNRNPA3, HNRNPAB KDM4E 4335/4885ALDH1A1 1251/4885HPGD 4633/4885

“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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