SCHEMBL5943417

SCHEMBL5943417

COC(=O)c1ccc(C(F)(F)F)cc1OC(C)=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.73
ALDH1A1 P00352 3/20 0.73
HPGD P15428 3/20 0.73
CYP2C19 P33261 2/20 0.73
HSD17B10 Q99714 2/20 0.73
USP2 O75604 1/20 0.73
CFTR P13569 1/20 0.61
BACE1 P56817 1/20 0.49
MRGPRX4 Q96LA9 2/20 0.44
CES2 O00748 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NOTUM Q6P988 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL11604499 0.88 KDM4E (0.73) KDM4EALDH1A1HPGDCYP2C19HSD17B10
SCHEMBL27781533 0.88 KDM4E (0.60) KDM4EALDH1A1HPGDCYP2C19HSD17B10
SCHEMBL15721293 0.87 KDM4E (0.71) KDM4EALDH1A1HPGDCYP2C19HSD17B10
SCHEMBL24901813 0.86 CFTR (0.67) KDM4EALDH1A1HPGDCYP2C19HSD17B10
SCHEMBL15684623 0.86 KDM4E (0.79) KDM4EALDH1A1HPGDCYP2C19HSD17B10
Triflusal SCHEMBL136423 0.84 KDM4E (1.00) KDM4EALDH1A1HPGDCYP2C19HSD17B10
Triflusal SCHEMBL29435449 0.84 KDM4E (1.00) KDM4EALDH1A1HPGDCYP2C19HSD17B10
Triflusal SCHEMBL29435450 0.84 KDM4E (1.00) KDM4EALDH1A1HPGDCYP2C19HSD17B10
SCHEMBL3056059 0.83 KDM4E (0.75) KDM4EALDH1A1HPGDCYP2C19HSD17B10
SCHEMBL15743761 0.83 KDM4E (0.75) KDM4EALDH1A1HPGDCYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315834-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF INFLAMMATION-RELATED DISORDERS, PAIN AND FEVER, SKIN DISORDERS, CANCER AND PRECANCEROUS CONDITIONS THEREOF MEDICON PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-20140121185-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE TREATMENT AND PREVENTION OF CANCER AND PRECANCEROUS CONDITIONS, INFLAMMATION-RELATED DISORDERS, PAIN AND FEVER MEDICON PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8173831-B2 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2012-05-08 US disclosed
US-20100041748-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2010-02-18 US 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 (3 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-20140315834-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF INFLAMMATION-RELATED DISORDERS, PAIN AND FEVER, SKIN DISORDERS, CANCER AND PRECANCEROUS CONDITIONS THEREOF HMGB1, PTGES, FDPS KDM4E 2957/4885ALDH1A1 339/4885HPGD 80/4885
US-20100041748-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 KDM4E 2493/4885ALDH1A1 285/4885HPGD 510/4885
US-20140121185-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE TREATMENT AND PREVENTION OF CANCER AND PRECANCEROUS CONDITIONS, INFLAMMATION-RELATED DISORDERS, PAIN AND FEVER PTGES, PTGES2, HSF1 KDM4E 4531/4885ALDH1A1 837/4885HPGD 53/4885

“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.