SCHEMBL3769347

SCHEMBL3769347

OC(CCl)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.49
DPP4 P27487 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
MMP14 P50281 1/20 0.49
TSHR P16473 1/20 0.46
TRPA1 O75762 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ANPEP P15144 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
ERAP2 Q6P179 1/20 0.44
ACP3 P15309 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
KCNH2 Q12809 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL8371056 1.00 MMP12 (0.49) MMP12DPP4MMP2MMP9MMP13
SCHEMBL3115450 0.88 TRPA1 (0.58) TRPA1SLC6A3
SCHEMBL4799370 0.86 MMP2 (0.55) MMP12DPP4MMP2MMP9MMP13
SCHEMBL27688499 0.81 TSHR (0.44) MMP12DPP4MMP2MMP9MMP13
SCHEMBL409924 0.81 TAAR1 (0.45) MMP12MMP2MMP9MMP13MMP14
SCHEMBL2074824 0.80 TDP1 (0.52) MMP12DPP4MMP2MMP9MMP13
SCHEMBL448011 0.80 TRPA1 (0.56) MMP12DPP4MMP2MMP9MMP13
SCHEMBL2077325 0.80 TDP1 (0.52) MMP12DPP4MMP2MMP9MMP13
SCHEMBL2074517 0.80 TDP1 (0.52) MMP12DPP4MMP2MMP9MMP13
SCHEMBL10247192 0.79 CYP1A2 (0.43) MMP12DPP4MMP2MMP9MMP13

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
CN-104745649-B A kind of biological preparation method of fosamprenavir intermediate 苏州汉酶生物技术有限公司 2018-03-09 CN claimed
CN-104911224-B Method for catalytic synthesis of atazanavir intermediate 南京工业大学 2018-12-25 CN disclosed
US-20180127367-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2018-05-10 US disclosed
US-9962368-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-05-08 US disclosed
CN-104745649-B A kind of biological preparation method of fosamprenavir intermediate 苏州汉酶生物技术有限公司 2018-03-09 CN disclosed
US-9884820-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-02-06 US disclosed
US-20170157092-A1 Anti-depression Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2017-06-08 US disclosed
US-9616048-B2 Anti-depression compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-11 US disclosed
US-20160362373-A1 Pro-Neurogenic Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-12-15 US disclosed
US-9446022-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-09-20 US disclosed
US-9095572-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-08-04 US disclosed
US-20140343018-A1 Anti-depression Compounds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2014-11-20 US disclosed
US-8877797-B2 Methods for treating Parkinson's disease using pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-11-04 US disclosed
US-8735440-B2 Methods for treating amyotrophic lateral sclerosis using pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-05-27 US disclosed
US-20130190273-A1 Methods for Treating Amyotrophic Lateral Sclerosis Using Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-07-25 US disclosed
US-20130184271-A1 Methods for Treating Parkinson's Disease Using Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-07-18 US disclosed
US-20130040977-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2013-02-14 US disclosed
US-20120022096-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-26 US disclosed
US-7851570-B2 Precatalysts useful in polyolefin polymerization reactions THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-12-14 US disclosed
US-20080207853-A1 Precatalysts useful in polyolefin polymerization reactions THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2008-08-28 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 (9 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-20130184271-A1 Methods for Treating Parkinson's Disease Using Pro-Neurogenic Compounds BDNF, GAP43, NES MMP12 638/4885DPP4 2972/4885MMP2 1294/4885
US-20120022096-A1 PRO-NEUROGENIC COMPOUNDS BDNF, GAP43, DCX MMP12 701/4885DPP4 3059/4885MMP2 1437/4885
US-20180127367-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX MMP12 701/4885DPP4 3059/4885MMP2 1437/4885
US-20130190273-A1 Methods for Treating Amyotrophic Lateral Sclerosis Using Pro-Neurogenic Compounds BDNF, GAP43, DCX MMP12 614/4885DPP4 3042/4885MMP2 1254/4885
US-20140343018-A1 Anti-depression Compounds BDNF, DCX, GAP43 MMP12 781/4885DPP4 2904/4885MMP2 1266/4885
US-20130040977-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX MMP12 701/4885DPP4 3059/4885MMP2 1437/4885
US-20160362373-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX MMP12 701/4885DPP4 3059/4885MMP2 1437/4885
US-20080207853-A1 Precatalysts useful in polyolefin polymerization reactions PPOX, PORCN, PTGES MMP12 4560/4885DPP4 4251/4885MMP2 4617/4885
US-20170157092-A1 Anti-depression Compounds BDNF, DCX, GAP43 MMP12 781/4885DPP4 2904/4885MMP2 1266/4885

“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.