SCHEMBL21150635

SCHEMBL21150635

c1ccc(-c2ccc3c(c2)B2c4cc(-c5ccccc5)ccc4Sc4cccc(c42)S3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.35
MAOA P21397 1/20 0.34
ALOX5 P09917 1/20 0.33
BCHE P06276 1/20 0.32
MGLL Q99685 1/20 0.32
MEN1 O00255 2/20 0.31
ESR1 P03372 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ACMSD Q8TDX5 1/20 0.31
ESR2 Q92731 2/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL21149098 0.90 CYP11B2 (0.40) DRD2
SCHEMBL21149810 0.86 MGLL (0.35) DRD2MAOAALOX5BCHEMGLL
SCHEMBL16890262 0.84 DRD2 (0.30) DRD2
SCHEMBL23432165 0.84
SCHEMBL24137555 0.83 DRD2 (0.32) DRD2
SCHEMBL21150628 0.82 RXRB (0.39) DRD2HSD17B2
SCHEMBL16890230 0.81 BCHE (0.32) DRD2BCHEMGLLALDH1A1HSP90AA1
SCHEMBL22874437 0.81 BCHE (0.32) DRD2BCHEMGLLALDH1A1HSP90AA1
SCHEMBL22181738 0.79
SCHEMBL16890309 0.78 DRD2 (0.31) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11139437-B2 Compound and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2021-10-05 US disclosed
US-20200035922-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-01-30 US disclosed
US-20190214579-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 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-11139437-B2 Compound and organic electroluminescence device RIF1, OR10J3, LEF1 DRD2 1886/4885MAOA 1850/4885ALOX5 3610/4885
US-20190214579-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE PIEZO1, RIF1, OR10J3 DRD2 1601/4885MAOA 1596/4885ALOX5 3346/4885

“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.