SCHEMBL8657871

SCHEMBL8657871

CCCOc1ccc2oc3ccccc3c(=O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSL1 P33121 2/20 0.67
▸ ACSL6 Q9UKU0 2/20 0.67
▸ MAOA P21397 2/20 0.67
▸ XDH P47989 3/20 0.62
▸ NPC1 O15118 3/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ POLB P06746 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ MAOB P27338 8/20 0.60
▸ HRH3 Q9Y5N1 8/20 0.60
▸ BCHE P06276 1/20 0.60
▸ ACHE P22303 1/20 0.60
▸ LMNA P02545 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ CASP3 P42574 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ SENP8 Q96LD8 1/20 0.54

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
SCHEMBL5030900 0.94 ACSL1 (0.70) ACSL1ACSL6MAOAXDHNPC1
SCHEMBL19583388 0.91 XDH (0.73) ACSL1ACSL6MAOAXDHNPC1
SCHEMBL20594883 0.91 ACSL1 (0.72) ACSL1ACSL6MAOAXDHMAOB
SCHEMBL20594363 0.91 ACSL1 (0.72) ACSL1ACSL6MAOAXDHMAOB
SCHEMBL20594368 0.91 ACSL1 (0.72) ACSL1ACSL6MAOAXDHMAOB
SCHEMBL20594290 0.91 ACSL1 (0.72) ACSL1ACSL6MAOAXDHMAOB
SCHEMBL30130333 0.88 MAOA (0.70) ACSL1ACSL6MAOAXDHNPC1
SCHEMBL392389 0.88 MAOA (0.70) ACSL1ACSL6MAOAXDHNPC1
SCHEMBL12240936 0.86 KDM4E (0.54) ACSL1ACSL6MAOAXDHNPC1
SCHEMBL2550117 0.86 ACSL1 (0.67) ACSL1ACSL6MAOAXDHNPC1

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
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
US-5844024-A Cyclic diphenylacetonitriles as stabilizers CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-12-01 — — US disclosed
US-5710198-A STABILIZERS AGAINST OXIDATION, HEAT RESISTANCE AND PHOTOSTABILITY CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-01-20 — — US disclosed
EP-0608198-A1 Cyclic diphenylacetonenitriles as stabilisers CIBA-GEIGY AG (CH) 1994-07-27 — — EP 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 ACSL1 3918/4885ACSL6 4130/4885MAOA 1965/4885

“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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