SCHEMBL12240975

SCHEMBL12240975

CCCOc1cc2c(=O)c3cc(OCCN)ccc3oc2cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGAM1 P18669 2/20 0.47
▸ ACSL1 P33121 2/20 0.44
▸ ACSL6 Q9UKU0 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ XDH P47989 2/20 0.43
▸ PTGS2 P35354 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CA12 O43570 1/20 0.41

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
SCHEMBL15759331 0.94 ACSL1 (0.48) PGAM1ACSL1ACSL6KDM4EALDH1A1
SCHEMBL12240936 0.88 KDM4E (0.54) ACSL1ACSL6KDM4EALDH1A1HPGD
SCHEMBL12240974 0.87 KDM4E (0.43) ACSL1ACSL6KDM4EALDH1A1HPGD
SCHEMBL12240964 0.86 XDH (0.54) ACSL1ACSL6KDM4EALDH1A1HPGD
SCHEMBL1798063 0.82 NPC1 (0.57) ACSL1ACSL6KDM4EALDH1A1HPGD
SCHEMBL12240977 0.81 ALDH1A1 (0.55) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL15759343 0.80 ACSL1 (0.46) ACSL1ACSL6KDM4EALDH1A1HPGD
SCHEMBL15759330 0.79 ACSL1 (0.54) ACSL1ACSL6KDM4EALDH1A1HPGD
SCHEMBL12240985 0.78 KDM4E (0.54) ACSL1ACSL6KDM4EALDH1A1HPGD
SCHEMBL8657871 0.76 ACSL1 (0.67) ACSL1ACSL6KDM4EALDH1A1HPGD

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 PGAM1 3611/4885ACSL1 3918/4885ACSL6 4130/4885

“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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