SCHEMBL21362351

SCHEMBL21362351

Ic1cc(-n2ccnc2)cc2c1oc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
CYP19A1 P11511 12/20 0.43
CYP11B1 P15538 11/20 0.43
CYP11B2 P19099 11/20 0.43
CYP17A1 P05093 5/20 0.43
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
IDO1 P14902 1/20 0.38
CYP2A6 P11509 1/20 0.38
AHR P35869 1/20 0.36

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
SCHEMBL23437639 0.84 CYP3A4 (0.44) CYP3A4CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL21362325 0.83 CYP11B1 (0.40) CYP3A4CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL23437641 0.81 CYP19A1 (0.46) CYP3A4CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL822818 0.79 CYP11B1 (0.54) CYP3A4CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL30843246 0.79 CYP11B1 (0.54) CYP3A4CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL20732632 0.76 CYP19A1 (0.54) CYP3A4CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL280225 0.73 IDO1 (0.49) CYP3A4CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL21949232 0.73 KDM4E (0.42) CYP3A4MEN1TSHRKMT2AAHR
SCHEMBL21362350 0.72 NOS2 (0.39) CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL12610079 0.70 AHR (0.49) CYP3A4MEN1KMT2AAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190288223-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 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-20190288223-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TPO, RPLP0, RPS10 CYP3A4 1873/4885CYP19A1 2501/4885CYP11B1 1731/4885

“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.