SCHEMBL4506402

SCHEMBL4506402

COc1cc2ccccc2cc1-c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 14/20 0.60
CYP11B2 P19099 13/20 0.60
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
PDGFRB P09619 1/20 0.55
PDGFRA P16234 1/20 0.55
CYP3A4 P08684 2/20 0.53
CYP1A1 P04798 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP1B1 Q16678 1/20 0.53
CYP17A1 P05093 5/20 0.53
CYP19A1 P11511 4/20 0.53
PDE10A Q9Y233 1/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL3892970 0.91 IKBKB (0.56) CYP11B1CYP11B2MKNK1MKNK2PDGFRB
SCHEMBL28225240 0.85 MKNK1 (0.60) CYP11B1CYP11B2MKNK1MKNK2PDGFRB
SCHEMBL16810204 0.81 PGR (0.58) PDGFRBPDGFRACYP3A4CYP1A1CYP1A2
SCHEMBL23326169 0.81 MKNK1 (0.56) CYP11B1CYP11B2MKNK1MKNK2PDGFRB
SCHEMBL29775388 0.81 CYP11B2 (0.61) CYP11B1CYP11B2MKNK1MKNK2CYP3A4
SCHEMBL8165131 0.81 CYP11B2 (0.61) CYP11B1CYP11B2MKNK1MKNK2CYP3A4
SCHEMBL29775379 0.81 MKNK1 (0.56) CYP11B1CYP11B2MKNK1MKNK2PDGFRB
SCHEMBL8137336 0.80 POLB (0.64) CYP11B1CYP11B2MKNK1MKNK2PDGFRB
SCHEMBL18076337 0.79 CYP1A1 (0.61) CYP3A4CYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL4260073 0.78 ALDH1A1 (0.73) CYP11B1CYP11B2CYP17A1CYP19A1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9271963-B2 Selective inhibitors of human corticosteroid synthases UNIVERSITAT DES SAARLANDES (DE) 2016-03-01 US claimed
US-20090221591-A1 Selective Inhibitors of Human Corticosteroid Synthases UNIVERSITAT DES SAARLANDES (DE) 2009-09-03 US claimed
EP-1853261-B1 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHASES UNIV SAARLAND (DE) 2017-01-11 EP disclosed
US-9271963-B2 Selective inhibitors of human corticosteroid synthases UNIVERSITAT DES SAARLANDES (DE) 2016-03-01 US disclosed
US-20090221591-A1 Selective Inhibitors of Human Corticosteroid Synthases UNIVERSITAT DES SAARLANDES (DE) 2009-09-03 US disclosed
EP-1853261-A1 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHASES Universität des Saarlandes (DE) 2007-11-14 EP disclosed
WO-2006092430-A1 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHASES Universität des Saarlandes (DE) 2006-09-08 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-20090221591-A1 Selective Inhibitors of Human Corticosteroid Synthases CYP11B1, HSD11B1, HSD17B1 CYP11B1 1/4885CYP11B2 5/4885MKNK1 1034/4885

“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.