SCHEMBL72482

SCHEMBL72482

[CH2]OC(=O)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 2/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
ELANE P08246 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MIF P14174 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL6971629 1.00 CES2 (0.50) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL6966829 1.00 CES2 (0.50) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL305004 0.97
SCHEMBL304922 0.92
SCHEMBL305397 0.86
SCHEMBL2198986 0.80 CES2 (0.58) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL248821 0.78 CES2 (0.55) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL11862575 0.78 CES2 (0.55) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL776566 0.78 CES2 (0.55) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL6939791 0.78 CES2 (0.55) CES2CES1SMN1; SMN2HDAC8HDAC6

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 1990 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018174839-A1 CYSTEINE, N-ACETYLCYSTEINE AND PENICILLAMINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2018-09-27 WO claimed
US-9963428-B1 Bucillamine prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2018-05-08 US claimed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US claimed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP claimed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO claimed
EP-2189443-B1 TRICYCLIC AMIDE COMPOUND RES FOUND ITSUU LAB (JP) 2013-10-23 EP claimed
US-6844033-B2 Cellulose ester film, its manufacturing method, polarizing plate, and liquid crystal display KONICA CORPORATION (JP) 2005-01-18 US claimed
US-6783809-B2 LOW VISCOSITY PHOTOCURABLE COMPOSITIONS WHICH, WHEN FULLY CURED, GIVE MOULDED ARTICLES OF EXCELLENT FLEXIBILITY HUNTSMAN ADVANCED MATERIALS AMERICAS INC. 2004-08-31 US claimed
EP-1319406-A1 Novel antibacterial compounds Sankyo Company, Limited (JP) 2003-06-18 EP claimed
US-20030069204-A1 Strain of streptomyces SANKYO COMPANY LIMITED (JP) 2003-04-10 US claimed
WO-1997048444-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS BECTON DICKINSON AND COMPANY (US) 1997-12-24 WO claimed
WO-1997023480-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-07-03 WO claimed
EP-0554215-B1 Diacrylates and dimethacrylates CIBA GEIGY AG (CH) 1997-01-02 EP claimed
WO-1996038426-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-05 WO claimed
US-5563158-A CARDIOVASCULAR DISORDERS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-08 US claimed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP claimed
WO-1995018111-A1 COMPOUNDS CONTAINING BASIC AND ACIDIC TERMINI USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-06 WO claimed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 WO claimed
EP-0554215-A2 Diacrylates and dimethacrylates CIBA-GEIGY AG (CH) 1993-08-04 EP claimed
US-4898939-A Process for preparing 2β-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1990-02-06 US 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-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS CAT, HSF1, HPD CES2 1061/4885CES1 1114/4885SMN1; SMN2 4550/4885
US-20030069204-A1 Strain of streptomyces O60361, CYP8B1, MRPS34 CES2 1507/4885CES1 1149/4885SMN1; SMN2 2214/4885

“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.