SCHEMBL1914036

SCHEMBL1914036

CC(C)C(=O)Oc1ccccc1C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
HSD17B10 Q99714 6/20 0.46
HPGD P15428 5/20 0.46
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
ESR1 P03372 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HMGB1 P09429 1/20 0.44
GGT1 P19440 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
BLM P54132 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ELANE P08246 4/20 0.44
IRAK4 Q9NWZ3 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALOX15 P16050 2/20 0.41

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
SCHEMBL10531207 0.85 MAPK1 (0.45) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL1914531 0.84 KDM4E (0.66) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL15547599 0.82 ALOX15 (0.55) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL13268420 0.82 KDM4E (0.47) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL12768059 0.81 SLC6A3 (0.63) KDM4EHSD17B10HPGDALDH1A1TSHR
Bromide SCHEMBL16050020 0.81 ALOX15 (0.53) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL30269568 0.79 PTGS2 (0.69) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL133699 0.79 PTGS2 (0.69) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL1332285 0.79 PTGS2 (0.69) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL1913955 0.79 KDM4E (0.51) KDM4EHSD17B10HPGDALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102607-B2 Peroxide derivatives, their process of preparation and their use in human medicine and in cosmetics for the treatment or prevention of acne GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-08-11 US disclosed
EP-2509944-B1 NOVEL PEROXIDE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE GALDERMA RES & DEV (FR) 2014-06-18 EP disclosed
US-20120323035-A1 NOVEL PEROXIDE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-12-20 US disclosed
EP-2509944-A1 NOVEL PEROXIDE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE Galderma Research & Development (FR) 2012-10-17 EP disclosed
WO-2011070170-A1 NOVEL PEROXIDE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-06-16 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 (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-20120323035-A1 NOVEL PEROXIDE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE GPX4, LPO, GPX1 KDM4E 4061/4885HSD17B10 65/4885HPGD 95/4885

“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.