SCHEMBL21158046

SCHEMBL21158046

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(ccc6ccc7nc(-c8ccccc8)oc7c65)c4)cc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
ELANE P08246 1/20 0.42
BACE1 P56817 1/20 0.39
NPC1 O15118 8/20 0.38
RAB9A P51151 8/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 7/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CASP3 P42574 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
ATM Q13315 2/20 0.37

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
SCHEMBL18544984 0.97 DHODH (0.46) DHODHESR1ESR2ELANEBACE1
SCHEMBL21158043 0.96 DHODH (0.46) DHODHESR1ESR2ELANEBACE1
SCHEMBL23600078 0.94 SMN1; SMN2 (0.44) DHODHESR1ESR2ELANENPC1
SCHEMBL20391605 0.94 DHODH (0.43) DHODHESR1ESR2ELANEBACE1
SCHEMBL21158031 0.92 DHODH (0.44) DHODHESR1ESR2ELANENPC1
SCHEMBL21000588 0.92 DHODH (0.48) DHODHESR1ESR2ELANEBACE1
SCHEMBL21167899 0.92 ESR1 (0.43) DHODHESR1ESR2ELANENPC1
SCHEMBL21168169 0.91 DHODH (0.47) DHODHESR1ESR2ELANEBACE1
SCHEMBL22879947 0.91 DHODH (0.47) DHODHESR1ESR2ELANEBACE1
SCHEMBL22880306 0.91 DHODH (0.47) DHODHESR1ESR2ELANEBACE1

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-11183640-B2 Organic electroluminescent device comprising electrontransport layer and electron buffer layer ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2021-11-23 US disclosed
US-20190214572-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING ELECTRONTRANSPORT LAYER AND ELECTRON BUFFER LAYER DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2019-07-11 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 (2 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-11183640-B2 Organic electroluminescent device comprising electrontransport layer and electron buffer layer SLC8B1, SLC9A2, SLC9B2 DHODH 2391/4885ESR1 264/4885ESR2 425/4885
US-20190214572-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING ELECTRONTRANSPORT LAYER AND ELECTRON BUFFER LAYER SLC8B1, SLC9A2, SLC9B2 DHODH 2391/4885ESR1 264/4885ESR2 425/4885

“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.