SCHEMBL1363870

SCHEMBL1363870

C=CCCC1CCCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
FAAH O00519 2/20 0.40
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA4 P22748 5/20 0.39
CA6 P23280 4/20 0.39
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
NOS1 P29475 4/20 0.33
NOS2 P35228 4/20 0.33
NOS3 P29474 2/20 0.33
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL23925244 0.94 FAAH (0.41) KDM4ENPC1RAB9AGAASMN1; SMN2
SCHEMBL25259222 0.94 FAAH (0.41) KDM4ENPC1RAB9AGAASMN1; SMN2
SCHEMBL3305780 0.83 FAAH (0.44) KDM4ENPC1RAB9AGAASMN1; SMN2
SCHEMBL11830328 0.82 KDM4E (0.45) KDM4ENPC1RAB9AGAASMN1; SMN2
SCHEMBL31558663 0.81 FAAH (0.40) KDM4ENPC1RAB9AGAASMN1; SMN2
SCHEMBL21859013 0.81 FAAH (0.40) KDM4ENPC1RAB9AGAASMN1; SMN2
SCHEMBL21859005 0.81 FAAH (0.40) KDM4ENPC1RAB9AGAASMN1; SMN2
Ammonia Solution, Strong SCHEMBL3961838 0.81 KDM4E (0.44) KDM4ENPC1RAB9AGAASMN1; SMN2
SCHEMBL21859010 0.80 FAAH (0.39) KDM4ENPC1RAB9AGAASMN1; SMN2
SCHEMBL23672278 0.80 FAAH (0.39) KDM4ENPC1RAB9AGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997871-B Liquid crystal compound 默克专利股份有限公司 2024-04-30 CN disclosed
CN-110997871-A Liquid crystal compounds 默克专利股份有限公司 2020-04-10 CN disclosed
WO-2019034588-A1 LIQUID-CRYSTALLINE COMPOUNDS MERCK PATENT GMBH (DE) 2019-02-21 WO disclosed
US-20180142061-A1 Multifunctional Degradable Nanoparticles with Control over Size and Functionalities UNIV VANDERBILT (US) 2018-05-24 US disclosed
US-9856348-B2 Multifunctional degradable nanoparticles with control over size and functionalities VANDERBILT UNIVERSITY (US) 2018-01-02 US disclosed
US-20160237208-A1 Multifunctional Degradable Nanoparticles with Control over Size and Functionalities UNIV VANDERBILT (US) 2016-08-18 US disclosed
US-8492510-B2 Multifunctional degradable nanoparticles with control over size and functionalities VANDERBILT UNIVERSITY (US) 2013-07-23 US disclosed
US-20130142733-A1 MULTIFUNCTIONAL DEGRADABLE NANOPARTICLES WITH CONTROL OVER SIZE AND FUNCTIONALITIES VANDERBILT UNIVERSITY (US) 2013-06-06 US disclosed
US-8067136-B2 Charge control agent, toner, image forming method, and image forming apparatus CANON KABUSHIKI KAISHA (JP) 2011-11-29 US disclosed
US-20110274620-A1 MULTIFUNCTIONAL DEGRADABLE NANOPARTICLES WITH CONTROL OVER SIZE AND FUNCTIONALITIES NATIONAL SCIENCE FOUNDATION 2011-11-10 US disclosed
US-20050287484-A1 Resin-coated carrier for electrophotographic developer CANON KABUSHIKI KAISHA (JP) 2005-12-29 US disclosed
WO-2005121904-A1 CHARGE CONTROL AGENT, TONER, IMAGE FORMING METHOD, AND IMAGE FORMING APPARATUS CANON KABUSHIKI KAISHA (JP) 2005-12-22 WO disclosed
WO-2005121204-A2 POLYHYDROXYALKANOIC ACID HAVING VINYL, ESTER, CARBOXYL OR SULFONIC ACID GROUP AND PRODUCING METHOD THEREFOR CANON KABUSHIKI KAISHA (JP) 2005-12-22 WO disclosed
US-6774126-B2 Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2004-08-10 US disclosed
US-20040019019-A1 Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2004-01-29 US disclosed
US-6552052-B2 (2S,3Z)-2-amino-5-(6,7,8,9-tetrahydro-3-oxo-3H,5H -(1,2,4)oxadiazolo(4,3-a)azepin-5-yl)-3-pentenoic acid, for example MONSANTO/G.D. SEARLE 2003-04-22 US disclosed
US-6489323-B1 INHIBITING NO PRODUCTION FROM L-ARGININE, AS SEEN IN DISEASE STATES SUCH AS ARTHRITIS AND SYSTEMIC HYPOTENSION ASSOCIATED WITH SEPTIC AND/OR TOXIC SHOCK G.D. SEARLE & CO. 2002-12-03 US disclosed
US-20010044539-A1 Heterobicyclic and tricyclic nitric oxide synthase inhibitors HANSEN DONALD W (US) 2001-11-22 US disclosed
EP-1086108-A1 HETEROBICYCLIC AND TRICYCLIC NITRIC OXIDE SYNTHASE INHIBITORS G.D. Searle & Co. (US) 2001-03-28 EP disclosed
WO-1999064426-A1 HETEROBICYCLIC AND TRICYCLIC NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1999-12-16 WO 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-20010044539-A1 Heterobicyclic and tricyclic nitric oxide synthase inhibitors NOS1, NOS2, NOS3 KDM4E 3181/4885NPC1 1760/4885RAB9A 3913/4885
US-20110274620-A1 MULTIFUNCTIONAL DEGRADABLE NANOPARTICLES WITH CONTROL OVER SIZE AND FUNCTIONALITIES DSTN, PARN, CTSA KDM4E 2491/4885NPC1 828/4885RAB9A 1780/4885
US-20180142061-A1 Multifunctional Degradable Nanoparticles with Control over Size and Functionalities DSTN, PARN, CTSA KDM4E 2491/4885NPC1 828/4885RAB9A 1780/4885
US-20130142733-A1 MULTIFUNCTIONAL DEGRADABLE NANOPARTICLES WITH CONTROL OVER SIZE AND FUNCTIONALITIES DSTN, PARN, CTSA KDM4E 2491/4885NPC1 828/4885RAB9A 1780/4885
US-20040019019-A1 Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors NOS1, NOS2, NOS3 KDM4E 1973/4885NPC1 2976/4885RAB9A 4341/4885

“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.