SCHEMBL19794445

SCHEMBL19794445

CC(C)(C)c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)c3)cn2)cn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.43
ALOX5AP P20292 4/20 0.41
FEN1 P39748 4/20 0.41
BAZ2B Q9UIF8 1/20 0.41
HPGDS O60760 2/20 0.39
DGAT1 O75907 2/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
DHODH Q02127 1/20 0.39
PTGS2 P35354 2/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 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
SCHEMBL19933579 0.97 FEN1 (0.43) LDHAALOX5APFEN1BAZ2BHPGDS
SCHEMBL19794461 0.89 ALOX5AP (0.40) LDHAALOX5APFEN1HSD17B1HSD17B2
SCHEMBL19933615 0.89 ALOX5AP (0.40) ALOX5APFEN1HSD17B1HSD17B2PTGS2
SCHEMBL21721916 0.88 ALOX5AP (0.39) LDHAALOX5APFEN1BAZ2BHSD17B1
SCHEMBL21398041 0.88 HPGDS (0.36) LDHAALOX5APFEN1BAZ2BHPGDS
SCHEMBL19794432 0.85 MEN1 (0.47) LDHAALOX5APFEN1BAZ2BHPGDS
SCHEMBL21125647 0.85 TRPV1 (0.40) ALOX5APFEN1HPGDS
SCHEMBL18015302 0.85 HSD17B1 (0.39) LDHAALOX5APFEN1BAZ2BHPGDS
SCHEMBL18015574 0.84 LDHA (0.52) LDHAFEN1BAZ2BHPGDSHSD17B1
SCHEMBL19933578 0.84 LDHA (0.52) LDHAFEN1BAZ2BHPGDSHSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC LDHA 2726/4885ALOX5AP 3447/4885FEN1 1267/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 LDHA 1917/4885ALOX5AP 4001/4885FEN1 2174/4885

“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.