SCHEMBL3800271

SCHEMBL3800271

CCOC(=O)Cc1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2A6 P11509 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 1/20 0.50
MAOB P27338 2/20 0.49
CASP1 P29466 1/20 0.47
MAPK8 P45983 1/20 0.47
GSK3A P49840 1/20 0.47
MAPK10 P53779 1/20 0.47
HIPK1 Q86Z02 1/20 0.47

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
SCHEMBL4781267 0.88 GAA (0.51) GAAL3MBTL1CYP1A2CYP2A6MEN1
SCHEMBL10810921 0.87 CYP1A2 (0.49) GAAL3MBTL1CYP1A2CYP2A6MEN1
SCHEMBL7419945 0.87 MAOB (0.49) L3MBTL1NPC1PKMNFKB1RAB9A
SCHEMBL9270474 0.87 MAOB (0.59) RAB9AMAOBALOX5
SCHEMBL10411098 0.85 MAOB (0.51) L3MBTL1NPC1PKMNFKB1RAB9A
SCHEMBL7414630 0.85 CYP4F2 (0.50) GAAL3MBTL1NPC1PKMNFKB1
SCHEMBL14258103 0.84 TSHR (0.47) L3MBTL1SMN1; SMN2CYP1A2CYP2A6MEN1
SCHEMBL11689706 0.84 AKR1B1 (0.66) GAAL3MBTL1NPC1PKMNFKB1
SCHEMBL7639928 0.84 GAA (0.50) GAAL3MBTL1CYP1A2CYP2A6MEN1
SCHEMBL1403568 0.84 PTGS1 (0.67) GAAL3MBTL1NPC1RAB9ASMN1; 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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037307-B2 2024-07-16 US disclosed
US-12037307-B2 2024-07-16 US disclosed
US-20230227400-A1 HIGH PURITY 2-NAPHTHYLACETONITRILE AND METHOD FOR PRODUCING SAME API CORPORATION (JP) 2023-07-20 US disclosed
US-20230227400-A1 HIGH PURITY 2-NAPHTHYLACETONITRILE AND METHOD FOR PRODUCING SAME API CORPORATION (JP) 2023-07-20 US disclosed
US-11643386-B2 High purity 2-naphthylacetonitrile and method for producing same API CORPORATION (JP) 2023-05-09 US disclosed
US-11643386-B2 High purity 2-naphthylacetonitrile and method for producing same API CORPORATION (JP) 2023-05-09 US disclosed
CN-114957065-A Malonic acid dithioester compound, preparation method and application thereof 沈阳化工大学 2022-08-30 CN disclosed
EP-3950664-A1 HIGH PURITY 2-NAPHTHYLACETONITRILE AND METHOD FOR PRODUCING SAME API Corporation (JP) 2022-02-09 EP disclosed
US-20220009880-A1 HIGH PURITY 2-NAPHTHYLACETONITRILE AND METHOD FOR PRODUCING SAME API CORPORATION (JP) 2022-01-13 US disclosed
US-9376417-B2 Process for preparing aryl- and heteroarylacetic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 US disclosed
EP-0646111-B1 ARTHROPODICIDAL OXAZOLINES AND THIAZOLINES DU PONT (US) 1997-08-20 EP disclosed
WO-1997023465-A1 NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1997-07-03 WO disclosed
US-5633271-A CONTROLLING ARTHROPODS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-05-27 US disclosed
EP-0646111-A1 ARTHROPODICIDAL OXAZOLINES AND THIAZOLINES. DU PONT (US) 1995-04-05 EP disclosed
WO-1993024470-A1 ARTHROPODICIDAL OXAZOLINES AND THIAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-12-09 WO disclosed
US-4642370-A Process for the production of carboxylic acid esters THE BRITISH PETROLEUM COMPANY P.L.C. (GB) 1987-02-10 US disclosed
WO-1985000596-A1 PROCESS FOR THE PRODUCTION OF CARBOXYLIC ACID ESTERS THE BRITISH PETROLEUM COMPANY P.L.C. (GB) 1985-02-14 WO disclosed
EP-0132144-A1 Process for the production of carboxylic acid esters The British Petroleum Company p.l.c. (GB) 1985-01-23 EP disclosed
US-4277490-A Insecticidal 1-(2-naphthyl)-cyclobutane carboxylate COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1981-07-07 US disclosed
EP-0003670-A1 Preparation of alkyl 2-aryl acrylates COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1979-08-22 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 (4 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-11643386-B2 High purity 2-naphthylacetonitrile and method for producing same SULT2A1, GNPAT, SULT1A1 GAA 334/4885L3MBTL1 4339/4885NPC1 2480/4885
US-20220009880-A1 HIGH PURITY 2-NAPHTHYLACETONITRILE AND METHOD FOR PRODUCING SAME SULT2A1, GNPAT, SULT1A1 GAA 334/4885L3MBTL1 4339/4885NPC1 2480/4885
US-12037307-B2 SULT2A1, SULT1A1, GNPAT GAA 294/4885L3MBTL1 4471/4885NPC1 2011/4885
US-20230227400-A1 HIGH PURITY 2-NAPHTHYLACETONITRILE AND METHOD FOR PRODUCING SAME NAT1, CYP2J2, NQO1 GAA 445/4885L3MBTL1 4687/4885NPC1 482/4885

“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.