SCHEMBL4474350

SCHEMBL4474350

CC(Br)C(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 4/20 0.53
MAPT P10636 1/20 0.53
CA2 P00918 1/20 0.41
HSD11B1 P28845 3/20 0.40
EPHX1 P07099 1/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP17A1 P05093 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
SCHEMBL19718856 0.82 ALDH1A1 (0.56) HSD17B10ALDH1A1MAPTCA2HSD11B1
SCHEMBL1082701 0.82 ALDH1A1 (0.56) HSD17B10ALDH1A1MAPTCA2HSD11B1
SCHEMBL26081355 0.80 ALDH1A1 (0.55) HSD17B10ALDH1A1MAPTCA2HSD11B1
SCHEMBL14801937 0.78 ALDH1A1 (0.44) HSD17B10ALDH1A1MAPTHSD11B1EPHX1
SCHEMBL11635652 0.78 ALDH1A1 (0.53) HSD17B10ALDH1A1MAPTCA2EPHX1
SCHEMBL2526511 0.78 ALDH1A1 (0.53) HSD17B10ALDH1A1MAPTCA2HSD11B1
SCHEMBL14696638 0.77 ALDH1A1 (0.51) HSD17B10ALDH1A1MAPTCA2HSD11B1
SCHEMBL12442332 0.75 ALDH1A1 (0.42) HSD17B10ALDH1A1MAPTCA2HSD11B1
SCHEMBL10532688 0.74 CYP17A1 (0.53) HSD17B10ALDH1A1MAPTCA2GLA
Ammonia Solution, Strong SCHEMBL11636588 0.74 HSD17B10 (0.50) HSD17B10ALDH1A1MAPTCA2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218483-A Be used for the treatment of the cell death inducer of cancer and immunity and autoimmune disorder ABBVIE INC 2016-01-06 CN disclosed
CN-102947283-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE (US) 2015-10-07 CN disclosed
CN-102947283-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2013-02-27 CN disclosed
CN-101497599-B Monomer, resin, resist composition using the resin, and method producing semiconductor device using the resist composition FUJITSU LTD 2012-09-05 CN disclosed
CN-101497599-A Monomer, resin, resist composition using the resin, and method producing semiconductor device using the resist composition FUJITSU LTD (JP) 2009-08-05 CN disclosed
US-7488832-B2 e.g. N-[amino(imino)methyl]-2-[2-(4-phenoxyphenyl)-5-phenyl-1H-pyrrol-1-yl]acetamide; beta -amyloid deposits and neurofibrillary tangles; cognition activator, neurodegenerative diseases; Alzheimer's disease, Down's syndrome WYETH (US) 2009-02-10 US disclosed
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 US disclosed
EP-1848692-A1 AZOLYLACYLGUANIDINES AS ß-SECRETASE INHIBITORS Wyeth (US) 2007-10-31 EP disclosed
WO-2006088711-A1 AZOLYLACYLGUANIDINES AS β-SECRETASE INHIBITORS WYETH (US) 2006-08-24 WO disclosed
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors WYETH (US) 2006-08-17 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-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS BACE1, BACE2, APP HSD17B10 933/4885ALDH1A1 360/4885MAPT 30/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP HSD17B10 933/4885ALDH1A1 360/4885MAPT 30/4885

“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.