SCHEMBL68231

SCHEMBL68231

CC(=O)Oc1ccc2c(CBr)cc(=O)oc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.68
ALDH1A1 P00352 9/20 0.68
GAA P10253 6/20 0.68
GLA P06280 5/20 0.68
POLB P06746 2/20 0.57
CA12 O43570 2/20 0.57
CA9 Q16790 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
LCK P06239 1/20 0.56
KMT2A Q03164 4/20 0.56
HPGD P15428 4/20 0.55
PKM P14618 2/20 0.54
MEN1 O00255 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 4/20 0.53
HSD17B10 Q99714 4/20 0.53
CASP1 P29466 2/20 0.53
CASP7 P55210 2/20 0.53
CYP2D6 P10635 2/20 0.52
LMNA P02545 2/20 0.51

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
SCHEMBL8728352 0.91 KDM4E (0.57) KDM4EALDH1A1GAAGLAPOLB
SCHEMBL8863327 0.89 KDM4E (0.65) KDM4EALDH1A1GAAGLAPOLB
SCHEMBL6996933 0.89 KDM4E (0.57) KDM4EALDH1A1GAAGLAPOLB
SCHEMBL8654964 0.87 KDM4E (0.56) KDM4EALDH1A1GAAGLAPOLB
SCHEMBL8675851 0.87 KDM4E (0.53) KDM4EALDH1A1GAAGLAPOLB
SCHEMBL24025684 0.86 KDM4E (0.68) KDM4EALDH1A1GAAGLAPOLB
SCHEMBL20767988 0.86 KDM4E (0.68) KDM4EALDH1A1GAAGLAPOLB
SCHEMBL220134 0.85 KDM4E (0.78) KDM4EALDH1A1GAAGLAPOLB
SCHEMBL29443248 0.84 CYP2D6 (0.72) KDM4EALDH1A1POLBCA12CA9
SCHEMBL67779 0.84 CYP2D6 (0.72) KDM4EALDH1A1POLBCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10627406-B2 Method and kit for detecting glutathione KAOHSIUNG MEDICAL UNIVERSITY (TW) 2020-04-21 US disclosed
US-20180238900-A1 METHOD AND KIT FOR DETECTING GLUTATHIONE KAOHSIUNG MEDICAL UNIVERSITY (TW) 2018-08-23 US disclosed
US-8754179-B2 Light activated shape memory co-polymers CORNERSTONE RESEARCH GROUP, INC. (US) 2014-06-17 US disclosed
EP-2601048-A2 COMPOSITIONS AND METHODS FOR DETECTION OF SOILS ON FABRICS The Sun Products Corporation (US) 2013-06-12 EP disclosed
EP-1757933-B1 METHOD FOR THE DETERMINATION OF BODY ODOR KAO CORP (JP) 2013-01-09 EP disclosed
US-20120196375-A1 Compositions and Methods for Detection of Soils on Fabrics THE SUN PRODUCTS CORPORATION (US) 2012-08-02 US disclosed
US-8129087-B2 Block copolymer and substrate processing method CANON KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed
WO-2012019030-A2 COMPOSITIONS AND METHODS FOR DETECTION OF SOILS ON FABRICS THE SUN PRODUCTS CORPORATION (US) 2012-02-09 WO disclosed
US-7858378-B2 Method for the determination of body odor KAO CORPORATION (JP) 2010-12-28 US disclosed
US-20100035355-A1 METHOD FOR THE DETERMINATION OF BODY ODOR KAO CORPORATION (JP) 2010-02-11 US disclosed
US-5986030-A CATIONIC POLYMERS FROM ACRYLIC DERIVATIVE MONOMERS AND COPOLYMERS NALCO CHEMICAL COMPANY (US) 1999-11-16 US disclosed
US-5942387-A Combinatorial process for preparing substituted thiophene libraries ELI LILLY AND COMPANY (US) 1999-08-24 US disclosed
WO-1999026476-A1 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORPORATION (US) 1999-06-03 WO disclosed
WO-1998046631-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
EP-0872497-A2 Fluorescent cationic monomers useful for tagging water soluble polymers NALCO CHEMICAL COMPANY (US) 1998-10-21 EP disclosed
EP-0816310-A2 Scavenger assisted combinatorial process for preparing libraries of tertiary amine compounds ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
EP-0418385-B1 BENZOTRIAZOLE DERIVATIVES AND REAGENTS CONTAINING SAME FOR ANALYZING CARBOXYLIC ACIDS SHIONOGI & CO (JP) 1994-08-24 EP disclosed
US-5097040-A Existing as metabolites of carbohydrates, lipids, proteins SHIONOGI & CO., LTD. (JP) 1992-03-17 US disclosed
EP-0418385-A1 BENZOTRIAZOLE DERIVATIVES AND REAGENTS CONTAINING SAME FOR ANALYZING CARBOXYLIC ACIDS SHIONOGI & CO., LTD. (JP) 1991-03-27 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 (1 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-20100035355-A1 METHOD FOR THE DETERMINATION OF BODY ODOR OR10J3, OR51E2, DRD4 KDM4E 1730/4885ALDH1A1 67/4885GAA 4670/4885

“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.