SCHEMBL15739335

SCHEMBL15739335

Brc1ccc(-c2cccc(-c3ccc4c5ccc6ccccc6c5n(-c5ccc(-c6ccccc6)cc5)c4c3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL15739313 0.97 EGFR (0.38) ALDH1A1MAPK1CYP1A1CYP1A2CYP1B1
SCHEMBL15739315 0.91 EGFR (0.37) ALDH1A1MAPK1CYP1A1CYP1A2CYP1B1
SCHEMBL22483154 0.91 KDM4E (0.38) MAPTMEN1KMT2A
SCHEMBL15739334 0.90 ABCG2 (0.36) ALDH1A1EGFRERBB2GAAMGAM
SCHEMBL15739411 0.89 EGFR (0.40) ALDH1A1MAPK1CYP1A1CYP1A2CYP1B1
SCHEMBL15739327 0.89 ABCG2 (0.36) ALDH1A1EGFRERBB2GAAMGAM
SCHEMBL16985850 0.87 KDM4E (0.40) ALDH1A1MAPK1CYP1A1CYP1A2CYP1B1
SCHEMBL15138711 0.87 CYP1A1 (0.42) ALDH1A1MAPK1CYP1A1CYP1A2CYP1B1
SCHEMBL16985767 0.85 EGFR (0.38) ALDH1A1MAPK1CYP1A1CYP1A2CYP1B1
SCHEMBL21863151 0.85 AVPR1A (0.36) ALDH1A1CYP1A1CYP1A2CYP1B1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9515269-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2016-12-06 US disclosed
US-9515269-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2016-12-06 US disclosed
US-20160293846-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-10-06 US disclosed
US-20160293846-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-10-06 US disclosed
WO-2014077558-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE FOR SAME 덕산하이메탈(주) (KR) 2014-05-22 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-20160293846-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF OR51E2, NFE2L2, ORAI2 ALDH1A1 1383/4885MAPK1 2884/4885CYP1A1 3055/4885

“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.