SCHEMBL18015302

SCHEMBL18015302

CC(C)(C)c1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)c3)cn2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
LMNA P02545 3/20 0.39
WNT3A P56704 6/20 0.38
LDHA P00338 1/20 0.37
HPGDS O60760 2/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
DGAT1 O75907 1/20 0.35

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
SCHEMBL19794445 0.85 LDHA (0.43) HSD17B1HSD17B2LDHAHPGDSALOX5AP
SCHEMBL18015300 0.82 WNT3A (0.53) WNT3A
SCHEMBL19933666 0.82 TGFBR1 (0.45) HSD17B1HSD17B2WNT3ALDHAHPGDS
SCHEMBL19933579 0.82 FEN1 (0.43) HSD17B1HSD17B2LDHAHPGDSALOX5AP
SCHEMBL19794432 0.82 MEN1 (0.47) HSD17B1HSD17B2LMNALDHAHPGDS
SCHEMBL21125931 0.81 HSD17B1 (0.56) HSD17B1HSD17B2LDHAHPGDSFEN1
SCHEMBL18015574 0.81 LDHA (0.52) HSD17B1HSD17B2LDHAHPGDSFEN1
SCHEMBL19933578 0.81 LDHA (0.52) HSD17B1HSD17B2LDHAHPGDSFEN1
SCHEMBL18015298 0.81 ALOX5AP (0.42) HSD17B1HSD17B2LDHAHPGDSALOX5AP
SCHEMBL19794431 0.80 LDHA (0.50) HSD17B1HSD17B2LDHAHPGDSSMN1; 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 5 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
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 WO 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 HSD17B1 4860/4885HSD17B2 4834/4885LMNA 4536/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 HSD17B1 4527/4885HSD17B2 4245/4885LMNA 4570/4885

“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.