SCHEMBL19949595

SCHEMBL19949595

COc1cccc2c1CC(=Cc1ccc([N+](=O)[O-])cc1)C2=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.67
APP P05067 1/20 0.66
MAOB P27338 1/20 0.66
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CASP3 P42574 1/20 0.53
RAB9A P51151 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
TYR P14679 1/20 0.53
ACHE P22303 2/20 0.51
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 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
SCHEMBL19949594 1.00 CYP19A1 (0.67) CYP19A1APPMAOBMAPTSMN1; SMN2
SCHEMBL8543928 0.89 CYP19A1 (0.67) CYP19A1APPMAOBMAPTSMN1; SMN2
SCHEMBL8543924 0.89 CYP19A1 (0.67) CYP19A1APPMAOBMAPTSMN1; SMN2
SCHEMBL29038258 0.84 CYP19A1 (0.74) CYP19A1MAOBMAPTTYRTUBB4A
SCHEMBL29038262 0.84 CYP19A1 (0.74) CYP19A1MAOBMAPTTYRTUBB4A
SCHEMBL7000855 0.76 MAPT (0.78) CYP19A1APPMAOBMAPTSMN1; SMN2
SCHEMBL7000852 0.76 MAPT (0.78) CYP19A1APPMAOBMAPTSMN1; SMN2
SCHEMBL30832110 0.73 CYP19A1 (0.75) CYP19A1MAOBMAPTSMN1; SMN2CASP3
SCHEMBL19978075 0.72 APP (0.44) CYP19A1APPMAOBMAPTSMN1; SMN2
SCHEMBL8870164 0.72 CYP19A1 (0.64) CYP19A1MAOBMAPTRAB9ATYR

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
WO-2018053240-A1 PEPTIDOMIMETICS AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-03-22 WO disclosed
US-20180072677-A1 Peptidomimetics and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-03-15 US disclosed
US-20180072677-A1 Peptidomimetics and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-03-15 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-20180072677-A1 Peptidomimetics and Methods of Using the Same OPRM1, OPRL1, OPRD1 CYP19A1 2701/4885APP 1338/4885MAOB 1681/4885

“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.