SCHEMBL1546683

SCHEMBL1546683

N#CCC(O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.52
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
AOC3 Q16853 5/20 0.47
RIPK1 Q13546 1/20 0.44
PBRM1 Q86U86 1/20 0.43
TRPA1 O75762 1/20 0.41
BCAT2 O15382 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL2349389 1.00 TSHR (0.52) TSHRLMNAKDM4EL3MBTL1AOC3
SCHEMBL1546681 1.00 TSHR (0.52) TSHRLMNAKDM4EL3MBTL1AOC3
SCHEMBL29246794 0.88 CTSS (0.44) TSHRLMNAKDM4EL3MBTL1PBRM1
SCHEMBL8902506 0.83 CTSK (0.48) TSHRLMNA
SCHEMBL2207500 0.79 SGMS2 (0.40) LMNAAOC3PBRM1
SCHEMBL4169733 0.79 LMNA (0.54) TSHRLMNAKDM4EL3MBTL1AOC3
SCHEMBL23209157 0.78 AOC3 (0.47) TSHRLMNAL3MBTL1AOC3NPC1
SCHEMBL23237367 0.78 AOC3 (0.47) LMNAKDM4EAOC3
SCHEMBL4977775 0.78 ESR1 (0.42) LMNAKDM4ENPC1RAB9A
SCHEMBL23237307 0.78 ESR1 (0.42) LMNAKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574049-A Novel method for preparing phenylglycine by using hydrocyanic acid 华阳新材料科技集团有限公司 2021-03-30 CN claimed
CN-108997122-B 3-aryl-4-alkoxy benzyl ether derivative and preparation method and application thereof 南方医科大学 2020-12-29 CN claimed
US-20130149769-A1 NOVEL CARBONYL REDUCTASE, GENE THEREFOR AND USE THEREOF KANEKA CORPORATION (JP) 2013-06-13 US claimed
US-8008461-B2 Carbonyl reductase, gene therefor and use thereof KANEKA CORPORATION (JP) 2011-08-30 US claimed
US-20090029430-A1 Novel Carbonyl Reductase, Gene Therefor and Use Thereof KANEKA CORPORATION (JP) 2009-01-29 US claimed
EP-1811021-A1 NOVEL CARBONYL REDUCTASE, GENE THEREFOR AND USE THEREOF Kaneka Corporation (JP) 2007-07-25 EP claimed
US-7091011-B2 3-hydroxycarboxylic acid production and use in branched polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-08-15 US claimed
US-20030170837-A1 3-hydroxycarboxylic acid production and use in branched polymers AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2003-09-11 US claimed
US-20030166180-A1 3-Hydroxycarboxylic acid production and use in branched polymers AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2003-09-04 US claimed
EP-1309715-A2 3-HYDROXYCARBOXYLIC ACID PRODUCTION AND USE IN BRANCHED POLYMERS E.I. Dupont de Nemours and Company (US) 2003-05-14 EP claimed
US-6562603-B2 Forming hydroxy group containing acid from hydroxy groupcontaining nitrile; polylactones E. I. DU PONT DE NEMOURS AND COMPANY 2003-05-13 US claimed
WO-2002057475-A1 STEREOSELECTIVE PREPARATION OF 3-HYDROXY-3-PHENYLPROPIONITRILE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-07-25 WO claimed
US-20020039770-A1 3-Hydroxycarboxylic acid production and use in branched polymers AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2002-04-04 US claimed
WO-2002012530-A2 3-HYDROXYCARBOXYLIC ACID PRODUCTION AND USE IN BRANCHED POLYMERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2002-02-14 WO claimed
JP-5078302-A None JP disclosed
JP-5092946-A None JP disclosed
US-20230390401-A1 RAPIDLY RELEASED BIOORTHOGONAL CAGING GROUPS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2023-12-07 US disclosed
US-4246189-A FOR EASE OF MATERIALS HANDLING DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-01-20 US disclosed
US-4242489-A Process for preparing polyurethanes BAYER AKTIENGESELLSCHAFT (DE) 1980-12-30 US disclosed
US-4173567-A Isocyanate derivatives of 1,3[oxazoles, oxazines, diazoles and diazines] BAYER AKTIENGESELLSCHAFT (DE) 1979-11-06 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-20090029430-A1 Novel Carbonyl Reductase, Gene Therefor and Use Thereof AKR1C4, CBR3, FAR1 TSHR 4560/4885LMNA 4135/4885KDM4E 2679/4885
US-20230390401-A1 RAPIDLY RELEASED BIOORTHOGONAL CAGING GROUPS CBR3, CBR1, OR10J3 TSHR 58/4885LMNA 4638/4885KDM4E 2333/4885

“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.