SCHEMBL18015489

SCHEMBL18015489

CC1(C)CC(C)(C)c2cc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccc7c(c6)C(C)(C)CC7(C)C)nc5)cc(-c5ccccc5-c5ccc(-c6cccc7c6oc6ccccc67)nc5)c4)cn3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
RARB P10826 3/20 0.35
RARG P13631 3/20 0.35
RXRA P19793 1/20 0.35
AVPR1A P37288 1/20 0.35
PRKDC P78527 6/20 0.33
GGPS1 O95749 1/20 0.33
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
RARA P10276 2/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL18015537 0.85 ALOX5 (0.55) ALOX5PRKDCGGPS1HDAC8PIK3CD
SCHEMBL17486334 0.85 ALOX5 (0.36) ALOX5RARBRARGRXRAAVPR1A
SCHEMBL19794374 0.84 RARB (0.46) RARBRARGRXRARARAHSD17B1
SCHEMBL19933653 0.80 ALOX5 (0.49) ALOX5PRKDCGGPS1PIK3CDPIK3CB
SCHEMBL19933820 0.79 ALOX5 (0.36) ALOX5GGPS1
SCHEMBL19933648 0.79 ALOX5 (0.42) ALOX5AVPR1APRKDCGGPS1MEN1
SCHEMBL17212677 0.79 ALOX5 (0.55) ALOX5PRKDCGGPS1MEN1CYP2C19
SCHEMBL17212563 0.78 ALOX5 (0.51) ALOX5PRKDCGGPS1MEN1KMT2A
SCHEMBL23239906 0.78 ALOX5 (0.47) ALOX5PRKDCGGPS1MEN1KMT2A
SCHEMBL17212700 0.78 ALOX5 (0.44) ALOX5AVPR1APRKDCGGPS1MEN1

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 ALOX5 3634/4885RARB 2999/4885RARG 3090/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 ALOX5 4152/4885RARB 3726/4885RARG 3136/4885

“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.