SCHEMBL21158031

SCHEMBL21158031

c1ccc(-c2nc3ccc4ccc5cc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)ccc5c4c3o2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.44
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
KDM4E B2RXH2 4/20 0.42
CYP1A2 P05177 3/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ELANE P08246 1/20 0.40
HPGD P15428 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 3/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
NPC1 O15118 5/20 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
SCHEMBL23600078 0.99 SMN1; SMN2 (0.44) DHODHESR1ESR2ALDH1A1SMN1; SMN2
SCHEMBL18544984 0.95 DHODH (0.46) DHODHESR1ESR2ALDH1A1SMN1; SMN2
SCHEMBL20413920 0.94 CYP1A1 (0.43) DHODHESR1ESR2ALDH1A1SMN1; SMN2
SCHEMBL22880306 0.94 DHODH (0.47) DHODHESR1ESR2ALDH1A1SMN1; SMN2
SCHEMBL20413929 0.93 CYP1A1 (0.45) DHODHESR1ESR2ALDH1A1SMN1; SMN2
SCHEMBL23960933 0.93 DHODH (0.44) DHODHESR1ESR2ALDH1A1SMN1; SMN2
SCHEMBL21158046 0.92 DHODH (0.46) DHODHESR1ESR2ALDH1A1SMN1; SMN2
SCHEMBL21158043 0.91 DHODH (0.46) DHODHESR1ESR2ALDH1A1SMN1; SMN2
SCHEMBL23511824 0.91 ALDH1A1 (0.44) DHODHESR1ESR2ALDH1A1SMN1; SMN2
SCHEMBL21000699 0.91 ESR1 (0.45) DHODHESR1ESR2ALDH1A1SMN1; SMN2

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.