SCHEMBL7846347

SCHEMBL7846347

CC1(C)OC(C)(C)c2cc(Br)ccc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.34
S100A4 P26447 1/20 0.33
PGR P06401 4/20 0.32
KDM1A O60341 1/20 0.32
PDK2 Q15119 1/20 0.31
BACE1 P56817 1/20 0.31
CMA1 P23946 1/20 0.31
CYP2A6 P11509 1/20 0.30

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
SCHEMBL15614861 0.79 BACE2 (0.33) AHRKDM1ABACE1CMA1
SCHEMBL15428014 0.75 AHR (0.35) AHR
SCHEMBL17486216 0.75 MAPK1 (0.37) PGRBACE1
SCHEMBL24701899 0.74 TDP1 (0.39) PDK2CYP2A6
SCHEMBL12721438 0.73 CYP2A6 (0.35) AHRS100A4KDM1APDK2CMA1
SCHEMBL20212018 0.73 CYP2A6 (0.35) AHRS100A4KDM1APDK2CMA1
SCHEMBL6848342 0.73 ALDH1A1 (0.36) PDK2BACE1
SCHEMBL10819304 0.73 HCAR3 (0.36) PGRPDK2BACE1
SCHEMBL6770223 0.72 PGR (0.54) AHRPGRCMA1
SCHEMBL15614853 0.72 KDM1A (0.36) AHRKDM1ABACE1CMA1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-11005050-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-05-11 US disclosed
EP-3424936-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-04-07 EP disclosed
EP-3424936-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2019-01-09 EP disclosed
EP-3094638-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-11-08 EP disclosed
US-20170170413-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-06-15 US disclosed
US-20170170413-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-06-15 US disclosed
US-20160365520-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-12-15 US disclosed
US-20160365520-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-12-15 US disclosed
US-20150171348-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-06-18 US disclosed
WO-2014023377-A2 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-02-13 WO disclosed
US-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 US disclosed
US-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 US disclosed
CN-1320599-A Limited 9-cis-isotretinoins AMERICAN CYANAMID CO (US) 2001-11-07 CN disclosed
EP-0718285-B1 Restricted 9-cis-retinoids AMERICAN CYANAMID CO (US) 2001-04-11 EP disclosed
EP-0997455-A1 Restricted 9-cis retenoids American Cyanamid Company (US) 2000-05-03 EP disclosed
US-5968908-A Restricted 9-cis retinoids AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed
CN-1176248-A Restricted 9-CIS-retinoids AMERICAN CYANAMID CO (US) 1998-03-18 CN disclosed
EP-0718285-A2 Restricted 9-cis-retinoids American Cyanamid Company (US) 1996-06-26 EP 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 (5 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-20150171348-A1 Metal Complexes SOD1, AP1M1, AP3M1 AHR 3359/4885S100A4 753/4885PGR 3351/4885
US-11005050-B2 Metal complexes SOD1, AP1M1, AP3M1 AHR 3359/4885S100A4 753/4885PGR 3351/4885
US-20160365520-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 AHR 3359/4885S100A4 753/4885PGR 3351/4885
US-20170170413-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 AHR 3359/4885S100A4 753/4885PGR 3351/4885
US-11917901-B2 Metal complexes MCOLN2, MCOLN1, AP1M1 AHR 4105/4885S100A4 745/4885PGR 3528/4885

“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.