SCHEMBL17147393

SCHEMBL17147393

CC(C)(C)CON1CCN(c2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 5/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ MAPT P10636 4/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HRH3 Q9Y5N1 3/20 0.42
▸ SMO Q99835 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GFER P55789 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ PRKDC P78527 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL17149208 0.85 HSD11B1 (0.45) HSD11B1KDM4EALDH1A1HTTMAPT
SCHEMBL17151266 0.83 HRH3 (0.44) HSD11B1KDM4EALDH1A1HTTMAPT
SCHEMBL20178041 0.80 HSD11B1 (0.57) HSD11B1KDM4EALDH1A1HTTMAPT
SCHEMBL19886187 0.80 HSD11B1 (0.51) HSD11B1KDM4EALDH1A1HTTMAPT
SCHEMBL18744324 0.78 HSD11B1 (0.47) HSD11B1KDM4EALDH1A1HTTMAPT
SCHEMBL18161390 0.75 MAPT (0.48) HSD11B1KDM4EALDH1A1HTTMAPT
SCHEMBL20325157 0.74 HRH3 (0.54) KDM4EALDH1A1MAPTHRH3DRD4
SCHEMBL15163882 0.73 HSD11B1 (0.54) HSD11B1KDM4EALDH1A1HTTMAPT
SCHEMBL12125852 0.73 MAPK1 (0.68) HSD11B1KDM4EALDH1A1HTTMAPT
SCHEMBL270284 0.73 ALDH1A1 (0.59) HSD11B1KDM4EALDH1A1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394303-B2 Small molecule inhibitors of MCL-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-07-19 — — US disclosed
US-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-08 — — 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 (1 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-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, API5 HSD11B1 4759/4885KDM4E 1138/4885ALDH1A1 1518/4885

“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.

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