SCHEMBL18015488

SCHEMBL18015488

c1ccc(-c2cc(-c3ccccc3-c3ccc(-c4ccc5c(c4)C4CCC5CC4)nc3)cc(-c3ccccc3-c3ccc(-c4ccc5c(c4)C4CCC5CC4)nc3)c2)c(-c2ccc(-c3ccc4c(c3)C3CCC4CC3)nc2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
FEN1 P39748 6/20 0.36
ALOX5AP P20292 5/20 0.36
CAMKK2 Q96RR4 8/20 0.36
CAMKK1 Q8N5S9 3/20 0.36
SGK1 O00141 1/20 0.36
AURKA O14965 1/20 0.36
SGK3 Q96BR1 1/20 0.36
SGK2 Q9HBY8 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
KDM1A O60341 1/20 0.35
HPGDS O60760 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34

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
SCHEMBL19794376 0.87 HSD17B1 (0.40) HSD17B1HSD17B2FEN1ALOX5APKDM1A
SCHEMBL21125575 0.86 HSD17B1 (0.42) HSD17B1HSD17B2FEN1ALOX5APIRAK4
SCHEMBL16905550 0.85 HSD17B1 (0.49) HSD17B1HSD17B2FEN1ALOX5APCAMKK2
SCHEMBL23956040 0.84 HSD17B1 (0.40) HSD17B1HSD17B2FEN1ALOX5APCAMKK2
SCHEMBL21125448 0.82 KDM1A (0.40) HSD17B1HSD17B2FEN1KDM1ACHRNB2
SCHEMBL21662274 0.79 HSD17B1 (0.36) HSD17B1HSD17B2CAMKK2CAMKK1SGK1
SCHEMBL19801345 0.79 HSD17B1 (0.34) HSD17B1HSD17B2FEN1ALOX5APKDM1A
SCHEMBL21125931 0.79 HSD17B1 (0.56) HSD17B1HSD17B2FEN1HPGDS
SCHEMBL21937205 0.79 CNR2 (0.34) FEN1ALOX5AP
SCHEMBL19794387 0.79 HSD17B1 (0.41) HSD17B1HSD17B2CAMKK2CAMKK1SGK1

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 4834/4885FEN1 1267/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 HSD17B1 4527/4885HSD17B2 4245/4885FEN1 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.