SCHEMBL19794384

SCHEMBL19794384

CC1(C)CC(C)(C)c2cc(-c3cc(-c4cc5c(cc4-c4ccc(-c6ccccc6)nc4)C(C)(C)CC5(C)C)cc(-c4cc5c(cc4-c4ccc(-c6ccccc6)nc4)C(C)(C)CC5(C)C)c3)c(-c3ccc(-c4ccccc4)nc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.40
HPGDS O60760 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
BAZ2B Q9UIF8 1/20 0.38
RARG P13631 3/20 0.38
RARB P10826 3/20 0.38
RARA P10276 2/20 0.38
RXRA P19793 1/20 0.37
DHODH Q02127 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA3 P32297 1/20 0.36
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
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
SCHEMBL19794374 0.86 RARB (0.46) HSD17B1HSD17B2RARGRARBRARA
SCHEMBL18015686 0.82 LDHA (0.46) LDHARARGRARBRXRANPC1
SCHEMBL17486029 0.80 RARB (0.44) LDHAHPGDSHSD17B1HSD17B2RARG
SCHEMBL19794505 0.79 RARG (0.43) HPGDSRARGRARBRARARXRA
SCHEMBL15615211 0.79 NPC1 (0.44) LDHANPC1RAB9A
SCHEMBL17486329 0.78 RARB (0.42) LDHAHPGDSHSD17B1HSD17B2RARG
SCHEMBL19933578 0.78 LDHA (0.52) LDHAHPGDSHSD17B1HSD17B2BAZ2B
SCHEMBL18015574 0.78 LDHA (0.52) LDHAHPGDSHSD17B1HSD17B2BAZ2B
SCHEMBL14655877 0.78 LDHA (0.55) LDHAHPGDSHSD17B1HSD17B2BAZ2B
SCHEMBL18015536 0.77 RARG (0.56) HSD17B1HSD17B2RARGRARBRARA

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 2726/4885HPGDS 4832/4885HSD17B1 4860/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 LDHA 1917/4885HPGDS 4844/4885HSD17B1 4527/4885

“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.