SCHEMBL21263476

SCHEMBL21263476

c1ccc(-c2nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc(-c4ccnc5c4sc4ccccc45)c3)cc(-c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ CYP11B1 P15538 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ LIMK1 P53667 3/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ HTR5A P47898 1/20 0.32
▸ HPGD P15428 3/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31

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
SCHEMBL19937231 0.96 CYP1A1 (0.39) CYP1A1CYP1B1CYP11B1ALDH1A1MEN1
SCHEMBL19937235 0.96 CYP1A1 (0.36) CYP1A1CYP1B1CYP11B1ALDH1A1MEN1
SCHEMBL21263426 0.93 CYP11B1 (0.36) CYP11B1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL21263427 0.93 CYP11B1 (0.36) CYP11B1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL19937279 0.93 CYP1A1 (0.38) CYP1A1CYP1B1CYP11B1ALDH1A1MEN1
SCHEMBL19937310 0.93 CYP11B1 (0.37) CYP11B1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL21263418 0.92 CYP11B1 (0.35) CYP11B1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL21263485 0.92 CYP11B1 (0.35) CYP11B1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL19936968 0.91 CYP1A1 (0.37) CYP1A1CYP1B1ALDH1A1MEN1KMT2A
SCHEMBL19936947 0.91 CYP1A1 (0.38) CYP1A1CYP1B1CYP11B1ALDH1A1MEN1

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-20190248804-A1 SPECIFICALLY SUBSTITUTED AZA-DIBENZOFURANS AND AZA-DIBENZOTHIOPHENES FOR ORGANIC ELECTRONIC DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2019-08-15 — — 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-20190248804-A1 SPECIFICALLY SUBSTITUTED AZA-DIBENZOFURANS AND AZA-DIBENZOTHIOPHENES FOR ORGANIC ELECTRONIC DEVICES CDY1; CDY1B, CDYL, CBX8 CYP1A1 824/4885CYP1B1 412/4885CYP11B1 2810/4885

“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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