SCHEMBL358651

SCHEMBL358651

OCc1coc(Cc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.57
TSHR P16473 1/20 0.48
CALM1 P0DP23 1/20 0.41
DAO P14920 2/20 0.40
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL27719076 0.86 IDH1 (0.58) IDH1CALM1DAOBCL2BCL2L1
SCHEMBL8977412 0.85 IDH1 (0.54) IDH1TSHRCALM1DAOBCL2
SCHEMBL11389129 0.81 NPC1 (0.46) IDH1DAOHPGDALOX15KMT2A
SCHEMBL9703621 0.81 IDH1 (0.39) IDH1DAOMEN1KMT2A
SCHEMBL11195540 0.81 IDH1 (0.53) IDH1TSHRCALM1DAOBCL2
SCHEMBL11483794 0.81 IDH1 (0.57) IDH1CALM1DAOBCL2BCL2L1
SCHEMBL11173312 0.81 IDH1 (0.53) IDH1CALM1DAOBCL2BCL2L1
SCHEMBL15978541 0.81 IDH1 (0.53) IDH1CALM1DAOBCL2BCL2L1
SCHEMBL11040268 0.78 IDH1 (0.64) IDH1CALM1DAOBCL2BCL2L1
SCHEMBL21153740 0.78 IDH1 (0.50) IDH1CALM1DAOBCL2BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1792889-B1 Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL CO (JP) 2015-03-04 EP claimed
US-7741511-B2 Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-22 US claimed
EP-1404661-B1 PROCESS FOR THE PRODUCTION OF 5-BENZYL-3-FURFURYL ALCOHOL ENDURA SPA (IT) 2008-04-09 EP claimed
US-20080009648-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS SOUDA HIROSHI 2008-01-10 US claimed
EP-1792889-A2 Process for the preparation of carboxylic acid esters Sumitomo Chemical Company, Limited (JP) 2007-06-06 EP claimed
CN-1247560-C Process for the production of 5-benzyl-3-furfuryl alcohol ENDURA SPA (IT) 2006-03-29 CN claimed
US-7019154-B2 Process for the production of 5-benzyl-3-furfuryl alcohol ENDURA S.P.A. (IT) 2006-03-28 US claimed
EP-1547995-A1 Process for the preparation of carboxylic acid esters Sumitomo Chemical Company, Limited (JP) 2005-06-29 EP claimed
US-20050113581-A1 Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL COMPANY, LIMITED 2005-05-26 US claimed
US-20040127728-A1 Process for the production of 5-benzyl-3-furfuryl alcohol ENDURA S.P.A. (IT) 2004-07-01 US claimed
EP-0077721-B1 CYCLOPROPANECARBOXYLIC-ACID DERIVATIVES BEARING AN ALKYLTHIOCARBONYL GROUP, THEIR PREPARATION, THEIR USE AS PARASITICIDES FOR PLANTS, ANIMALS, AND LOCI, AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1985-07-03 EP claimed
EP-0048186-B1 CYCLOPROPANE-CARBOXYLIC-ACID DERIVATIVES, THEIR PREPARATION, THEIR USE IN COMBATING VEGETAL PARASITES, ANIMALS AND LOCATIONS, THEIR COMPOSITIONS, AND INTERMEDIATES ROUSSEL-UCLAF (FR) 1985-05-02 EP claimed
EP-0050534-B1 ESTERS OF CYCLOPROPANE-CARBOXYLIC ACIDS RELATED TO PYRETHRIC ACID, THEIR PREPARATION AND USE AS INSECTICIDES ROUSSEL-UCLAF (FR) 1985-04-03 EP claimed
US-4489093-A Insecticidal esters ROUSSEL UCLAF (FR) 1984-12-18 US claimed
US-4478850-A DESTICIDES, NEMATOCIDES, MITICIDES, AND INSECTICIDES ROUSSEL UCLAF (FR) 1984-10-23 US claimed
EP-0041021-B1 CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, THEIR USE AGAINST PARASITES IN PLANTS AND ANIMALS, THEIR COMPOSITIONS AND THEIR INTERMEDIATES ROUSSEL-UCLAF (FR) 1984-07-25 EP claimed
EP-0038271-B1 CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE IN COMBATING PARASITES OF PLANTS AND ANIMALS, THEIR COMPOSITIONS AND INTERMEDIATES ROUSSEL-UCLAF (FR) 1984-07-04 EP claimed
US-4423243-A Process for the preparation of 2,2-dimethyl-3-vinyl-cyclopropanecarboxylic acids and esters BAYER AKTIENGESELLSCHAFT (DE) 1983-12-27 US claimed
US-4332962-A RHODIUM COMPOUND AS CATALYST FOR CYCLIZATION OF A PENTADIENE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-06-01 US claimed
EP-0018894-B1 ESTERS OF ALLETHROLONE DERIVATIVES AND CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND THE COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1982-02-17 EP claimed

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-20050113581-A1 Process for the preparation of carboxylic acid esters ACSL6, ALKBH3, ACSL1 IDH1 1174/4885TSHR 1811/4885CALM1 4097/4885
US-20080009648-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS ACSL6, ALKBH3, ACSL1 IDH1 1174/4885TSHR 1811/4885CALM1 4097/4885

“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.