SCHEMBL30576396

SCHEMBL30576396

c1ccc(-c2nccc3cc4cc5c(-c6ccccc6)nccc5cc4cc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GPR55 Q9Y2T6 1/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
GLA P06280 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTR2B P41595 1/20 0.42
HTR5A P47898 1/20 0.42
TDO2 P48775 1/20 0.42
ADORA2A P29274 3/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
NQO2 P16083 1/20 0.41
BCHE P06276 1/20 0.40
MAPK1 P28482 2/20 0.39

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
SCHEMBL15124248 1.00 KDM4E (0.45) KDM4ENPC1RAB9AL3MBTL1GPR55
SCHEMBL28191720 0.81 MAP4K4 (0.47) KDM4ENPC1RAB9AL3MBTL1GPR55
SCHEMBL50715 0.79 KDM4E (0.66) KDM4ENPC1RAB9AL3MBTL1GPR55
SCHEMBL29398625 0.79 KDM4E (0.66) KDM4ENPC1RAB9AL3MBTL1GPR55
SCHEMBL15712766 0.78 ESR1 (0.46) KDM4ENPC1RAB9AL3MBTL1GPR55
SCHEMBL11976463 0.78 BCHE (0.56) KDM4ENPC1RAB9AL3MBTL1GPR55
SCHEMBL17343147 0.78 KDM4E (0.51) KDM4ENPC1RAB9AL3MBTL1GPR55
SCHEMBL3180141 0.78 ESR1 (0.46) KDM4ENPC1RAB9AL3MBTL1GPR55
SCHEMBL4443976 0.78 BCHE (0.52) KDM4ENPC1RAB9AL3MBTL1GPR55
Bromide SCHEMBL8002743 0.78 MEN1 (0.60) RAB9AL3MBTL1MAPTKMT2APDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11744150-B2 Synthesis of aza-acenes as novel n-type materials for organic electronics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2023-08-29 US claimed
US-11744150-B2 Synthesis of aza-acenes as novel n-type materials for organic electronics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2023-08-29 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-11744150-B2 Synthesis of aza-acenes as novel n-type materials for organic electronics ACE2, ACE, AZI2 KDM4E 298/4885NPC1 4350/4885RAB9A 2678/4885

“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.