SCHEMBL21396727

SCHEMBL21396727

N#Cc1cc(-c2cnccc2N2c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccccc32)ccc1N1c2ccccc2C2(c3ccccc3Oc3ccccc32)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.33
CYP11B1 P15538 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ABCC9 O60706 1/20 0.30

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
SCHEMBL21397152 0.90 CYP11B2 (0.37) CYP11B2CYP11B1NCOA3KDM4EMEN1
SCHEMBL21396946 0.89 CYP11B1 (0.35) CYP11B2CYP11B1NCOA3HSD17B10
SCHEMBL21397024 0.84 AR (0.37) CYP11B2CYP11B1NCOA3
SCHEMBL21397171 0.83 ABCC9 (0.37) CYP11B2CYP11B1ABCC9
SCHEMBL21396724 0.80 BMPR1B (0.31) NPSR1
SCHEMBL22147697 0.80 ALDH1A1 (0.33) KDM4EMEN1NPC1MAPTTSHR
SCHEMBL21397038 0.77 CYP11B2 (0.37) CYP11B2CYP11B1NCOA3SMN1; SMN2
SCHEMBL21927959 0.76 ATR (0.37) CYP11B2CYP11B1HSD17B10
SCHEMBL21928469 0.76 PDE10A (0.39) CYP11B2NCOA3KDM4E
SCHEMBL21397029 0.75 CYP11B1 (0.36) CYP11B2CYP11B1NCOA3KDM4E

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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 CYP11B2 1859/4885CYP11B1 1877/4885NCOA3 1772/4885

“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.