SCHEMBL13170993

SCHEMBL13170993

N#Cc1ccc2cc(-c3cc4ccc5ccccc5c4c4ccccc34)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
CYP17A1 P05093 1/20 0.44
XDH P47989 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
PIM1 P11309 2/20 0.40
PDPK1 O15530 1/20 0.39
GSTP1 P09211 1/20 0.38
PDE9A O76083 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
CYP19A1 P11511 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
F2 P00734 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
SCHEMBL13170990 0.93 CA1 (0.45) CA1CA2CYP11B1CYP11B2CYP17A1
SCHEMBL13170986 0.93 CA1 (0.45) CA1CA2CYP11B1CYP11B2CYP17A1
SCHEMBL13192424 0.92 CYP11B1 (0.48) CA1CA2CYP11B1CYP11B2CYP17A1
SCHEMBL13192003 0.92 CA1 (0.44) CA1CA2CYP11B1CYP11B2CYP17A1
SCHEMBL13171022 0.89 CA1 (0.50) CA1CA2CYP11B1CYP11B2XDH
SCHEMBL13171001 0.89 PGR (0.44) CA1CA2CYP11B1CYP11B2CYP17A1
SCHEMBL13170995 0.89 PGR (0.44) CA1CA2CYP11B1CYP11B2CYP17A1
SCHEMBL13170980 0.89 ADRA2C (0.43) CA1CA2CYP11B1CYP11B2CYP17A1
SCHEMBL13171002 0.89 CA1 (0.42) CA1CA2CYP11B1CYP11B2CYP17A1
SCHEMBL13170976 0.88 CA1 (0.49) CA1CA2XDHSLC22A12PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512137-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-06 US disclosed
US-9512137-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-06 US disclosed
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-10-11 US disclosed
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-10-11 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-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLC25A11, SLCO4C1 CA1 3983/4885CA2 2855/4885CYP11B1 2077/4885

“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.