SCHEMBL3812945

SCHEMBL3812945

CCC(=O)Oc1ccccc1C([O])=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
RECQL P46063 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
HSD17B10 Q99714 5/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.46
ESR1 P03372 3/20 0.46
TSHR P16473 2/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
HMGB1 P09429 1/20 0.46
GGT1 P19440 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
BLM P54132 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ELANE P08246 2/20 0.45
HCRTR1 O43613 2/20 0.44

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
SCHEMBL3809581 0.86 KDM4E (0.62) KDM4ERECQLKMT2AMEN1HSD17B10
SCHEMBL2763226 0.85 KDM4E (0.71) KDM4ERECQLKMT2AMEN1HSD17B10
SCHEMBL29492632 0.85 KDM4E (0.71) KDM4ERECQLKMT2AMEN1HSD17B10
SCHEMBL16208732 0.85 PKM (0.56) KDM4ERECQLKMT2AMEN1HSD17B10
SCHEMBL8587612 0.84 TSHR (0.65) KDM4ERECQLKMT2AMEN1HSD17B10
SCHEMBL8435546 0.84 ALOX15 (0.55) KDM4ERECQLKMT2AMEN1HSD17B10
SCHEMBL11505027 0.84 KDM4E (0.51) KDM4ERECQLKMT2AMEN1HSD17B10
SCHEMBL14313990 0.84 KDM4E (0.51) KDM4ERECQLKMT2AMEN1HSD17B10
SCHEMBL6787728 0.84 KDM4E (0.51) KDM4ERECQLKMT2AMEN1HSD17B10
SCHEMBL9568812 0.84 IRAK4 (0.59) KDM4ERECQLKMT2AMEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008012603-A1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF DIFLUNISAL AND RELATED COMPOUNDS WITH VERY FAST SKIN PENETRATION RATE TECHFIELDS BIOCHEM CO. LTD (CN) 2008-01-31 WO claimed
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2021-11-18 US disclosed
US-9872846-B2 High penetration compositions and uses thereof TECHFIELDS PHARMA CO., LTD. (CN) 2018-01-23 US disclosed
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2017-07-27 US disclosed
US-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF PREMIER RESEARCH INTERNATIONAL, LLC 2017-07-27 US disclosed
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 US disclosed
WO-2008012603-A1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF DIFLUNISAL AND RELATED COMPOUNDS WITH VERY FAST SKIN PENETRATION RATE TECHFIELDS BIOCHEM CO. LTD (CN) 2008-01-31 WO 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 (4 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-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES KDM4E 4795/4885RECQL 4054/4885KMT2A 3616/4885
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES KDM4E 4795/4885RECQL 4054/4885KMT2A 3616/4885
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES KDM4E 4795/4885RECQL 4054/4885KMT2A 3616/4885
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES KDM4E 4795/4885RECQL 4054/4885KMT2A 3616/4885

“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.