SCHEMBL6328818

SCHEMBL6328818

CCCCCCC(=O)Oc1ccccc1C(=O)O

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.88
MEN1 O00255 2/20 0.88
KMT2A Q03164 2/20 0.88
RECQL P46063 1/20 0.88
HSD17B10 Q99714 6/20 0.55
HPGD P15428 4/20 0.55
POLM Q9NP87 2/20 0.54
POLK Q9UBT6 2/20 0.54
POLL Q9UGP5 2/20 0.54
POLH Q9Y253 2/20 0.54
ALDH1A1 P00352 4/20 0.54
TSHR P16473 2/20 0.54
ESR1 P03372 1/20 0.54
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
HMGB1 P09429 1/20 0.54
GGT1 P19440 1/20 0.54
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
BLM P54132 1/20 0.54

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
SCHEMBL29390528 1.00 KDM4E (0.88) KDM4EMEN1KMT2ARECQLHSD17B10
SCHEMBL29135334 1.00 KDM4E (0.88) KDM4EMEN1KMT2ARECQLHSD17B10
SCHEMBL28956887 1.00 KDM4E (0.88) KDM4EMEN1KMT2ARECQLHSD17B10
SCHEMBL725982 1.00 KDM4E (0.88) KDM4EMEN1KMT2ARECQLHSD17B10
SCHEMBL727072 1.00 KDM4E (0.88) KDM4EMEN1KMT2ARECQLHSD17B10
SCHEMBL16800398 1.00 KDM4E (0.88) KDM4EMEN1KMT2ARECQLHSD17B10
SCHEMBL44212 1.00 KDM4E (0.88) KDM4EMEN1KMT2ARECQLHSD17B10
SCHEMBL7706618 1.00 KDM4E (0.88) KDM4EMEN1KMT2ARECQLHSD17B10
SCHEMBL1858148 1.00 KDM4E (0.88) KDM4EMEN1KMT2ARECQLHSD17B10
SCHEMBL10697059 1.00 KDM4E (0.88) KDM4EMEN1KMT2ARECQLHSD17B10

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55062018-A None JP disclosed
US-9351980-B2 Di-aspirin derivatives THE UNIVERSITY OF WOLVERHAMPTON (GB) 2016-05-31 US disclosed
US-9351980-B2 Di-aspirin derivatives THE UNIVERSITY OF WOLVERHAMPTON (GB) 2016-05-31 US disclosed
US-20130035317-A1 Di-Aspirin Derivatives THE UNIVERISTY OF WOLVERHAMPTON (GB) 2013-02-07 US disclosed
US-20130035317-A1 Di-Aspirin Derivatives THE UNIVERISTY OF WOLVERHAMPTON (GB) 2013-02-07 US disclosed
WO-2011098839-A2 DI-ASPIRIN DERIVATIVES THE UNIVERSITY OF WOLVERHAMPTON (GB) 2011-08-18 WO disclosed
US-20100255598-A1 Medication Adherence Monitoring System UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2010-10-07 US disclosed
US-6909012-B2 Diflunisal esters and related compounds UNIVERSITY OF QUEENSLAND (AU) 2005-06-21 US disclosed
US-20030220497-A1 Novel diflunisal esters and related compounds THE UNIVERSITY OF QUEENSLAND 2003-11-27 US disclosed
US-6593365-B1 Method for treating and/or controlling thrombosis in a mammal, comprising administering to a mammal in need thereof an effective dosage of a compound having the formula: THE UNIVERSITY OF QUEENSLAND (AU) 2003-07-15 US disclosed
WO-1998046234-A1 NOVEL DIFLUNISAL ESTERS AND RELATED COMPOUNDS THE UNIVERSITY OF QUEENSLAND (AU) 1998-10-22 WO disclosed
JP-S5562018-A ANTIPYRETIC, ANALGESIC, AND ANTIPHLOGISTIC MARUKO SEIYAKU KK 1980-05-10 JP 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-20030220497-A1 Novel diflunisal esters and related compounds HPGDS, ALOX12, ALOX15 KDM4E 3349/4885MEN1 4715/4885KMT2A 4790/4885
US-20130035317-A1 Di-Aspirin Derivatives SDHA, DLD, DPYD KDM4E 2764/4885MEN1 3500/4885KMT2A 2755/4885

“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.