SCHEMBL2234017

SCHEMBL2234017

Oc1ccccc1OCCCl

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.72
JAK2 O60674 1/20 0.72
LMNA P02545 1/20 0.72
MAPT P10636 1/20 0.72
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
APP P05067 1/20 0.47
TSHR P16473 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL9152183 0.91 GAA (0.72) GAAJAK2LMNAMAPTDRD2
Methane SCHEMBL7356487 0.89 GAA (0.69) GAAJAK2LMNAMAPTDRD2
SCHEMBL9150153 0.88 GAA (0.67) GAAJAK2LMNAMAPTDRD2
SCHEMBL2637278 0.86 GAA (0.95) GAAJAK2LMNAMAPTDRD2
Alcohol SCHEMBL1545296 0.86 GAA (0.64) GAAJAK2LMNAMAPTDRD2
Methyl Alcohol SCHEMBL1545298 0.86 GAA (0.64) GAAJAK2LMNAMAPTDRD2
SCHEMBL5621969 0.84 GAA (0.82) GAAJAK2LMNAMAPTDRD2
SCHEMBL9045649 0.84 GAA (0.82) GAAJAK2LMNAMAPTDRD2
SCHEMBL6848695 0.84 KDM4E (0.54) GAAJAK2LMNAMAPTTP53
SCHEMBL24011910 0.82 GAA (0.78) GAAJAK2LMNAMAPTDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017031209-A1 TUBULYSIN ANALOGS AND METHODS ENDOCYTE, INC. (US) 2017-02-23 WO disclosed
US-8829208-B2 Process for the preparation of darunavir and darunavir intermediates MAPI PHARMA LTD. (IL) 2014-09-09 US disclosed
CN-1989122-B Novel cyclopenta [ b ] benzofuran derivatives and uses thereof INTERMED DISCOVERY GMBH 2013-07-24 CN disclosed
EP-2528923-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES Mapi Pharma Limited (IL) 2012-12-05 EP disclosed
US-20120296101-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES MAPI PHARMA LIMITED (IL) 2012-11-22 US disclosed
WO-2011092687-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES MAPI PHARMA HK LIMITED (CN) 2011-08-04 WO disclosed
CN-1989122-A Novel cyclopenta [ b ] benzofuran derivatives and uses thereof BAYER HEALTHCARE AG (DE) 2007-06-27 CN disclosed
CN-1246319-C Amino (thio) ether derivative MERCK PATENT AG (DE) 2006-03-22 CN disclosed
EP-0711773-B1 HYMENIALDISINE AND DERIVATIVE THEREOF, PROCESS FOR PRODUCING INTERMEDIATE FOR SYNTHESIZING THE SAME, AND SAID INTERMEDIATE SUNTORY LTD (JP) 2001-09-12 EP disclosed
EP-1123933-A1 2-[5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]chromane as CNS active agent MERCK PATENT GmbH (DE) 2001-08-16 EP disclosed
CN-1055288-C Cation-sensitive composite structures and compounds for use therein MINNESOTA MINING & MFG (US) 2000-08-09 CN disclosed
US-5767132-A CENTRAL NERVOUS SYSTEM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-06-16 US disclosed
US-5621099-A CARDIOVASCULAR DISORDERS SUNTORY LIMITED (JP) 1997-04-15 US disclosed
CN-1130180-A Amino (thio) ether derivative MERCK PATENT AG (DE) 1996-09-04 CN disclosed
EP-0711773-A1 HYMENIALDISINE AND DERIVATIVE THEREOF, PROCESS FOR PRODUCING INTERMEDIATE FOR SYNTHESIZING THE SAME, AND SAID INTERMEDIATE SUNTORY LIMITED (JP) 1996-05-15 EP disclosed
EP-0707007-A1 Amino(thio)ether derivatives as CNS active agents MERCK PATENT GmbH (DE) 1996-04-17 EP disclosed
CN-1106407-A Cation-sensitive composite structures and compounds for use therein MINNESOTA MINING & MFG (US) 1995-08-09 CN disclosed
EP-0342568-B1 Heterocyclically substituted phenoxysulfonyl urea, process for their preparation and their use as herbicides or as plant growth regulators HOECHST AG (DE) 1994-02-02 EP disclosed
US-5102443-A Free-and postemergenc herbicides HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-07 US disclosed
EP-0342568-A1 Heterocyclically substituted phenoxysulfonyl urea, process for their preparation and their use as herbicides or as plant growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1989-11-23 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 (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-20120296101-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES CYP3A43, CYP3A4, DHPS GAA 645/4885JAK2 3909/4885LMNA 4206/4885

“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.