SCHEMBL21721920

SCHEMBL21721920

c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)cc(-c4ccccc4-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccccc8)nc7)cc(-c7ccccc7-c7ccc(-c8ccccc8)nc7)c6)cn5)nc4)c3)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.50
HPGDS O60760 2/20 0.49
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
BAZ2B Q9UIF8 1/20 0.44
CYP11B1 P15538 5/20 0.43
CYP11B2 P19099 5/20 0.43
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
DYRK1A Q13627 1/20 0.41
FEN1 P39748 1/20 0.41
USP7 Q93009 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL19933578 0.98 LDHA (0.52) LDHAHPGDSHSD17B1HSD17B2BAZ2B
SCHEMBL18015574 0.98 LDHA (0.52) LDHAHPGDSHSD17B1HSD17B2BAZ2B
SCHEMBL19794370 0.96 LDHA (0.50) LDHAHPGDSHSD17B1HSD17B2BAZ2B
SCHEMBL18015495 0.96 LDHA (0.50) LDHAHPGDSHSD17B1HSD17B2BAZ2B
SCHEMBL19794431 0.96 LDHA (0.50) LDHAHPGDSHSD17B1HSD17B2BAZ2B
SCHEMBL21125931 0.94 HSD17B1 (0.56) LDHAHPGDSHSD17B1HSD17B2BAZ2B
SCHEMBL19933728 0.93 LDHA (0.47) LDHAHPGDSHSD17B1HSD17B2BAZ2B
SCHEMBL21125648 0.92 MEN1 (0.47) LDHAHPGDSHSD17B1HSD17B2BAZ2B
SCHEMBL19794441 0.92 HPGDS (0.52) LDHAHPGDSHSD17B1HSD17B2DHODH
SCHEMBL23239870 0.91 HSD17B1 (0.57) LDHAHPGDSHSD17B1HSD17B2BAZ2B

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
EP-3526227-B1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-06-03 EP disclosed
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-02-13 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-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES BICRA, NCLN, IMMT LDHA 2458/4885HPGDS 4620/4885HSD17B1 4486/4885

“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.