SCHEMBL1913832

SCHEMBL1913832

O=C(Oc1ccccc1)Oc1ccccc1C(=O)OOC(=O)c1ccccc1OC(=O)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.53
ALDH1A1 P00352 5/20 0.53
TSHR P16473 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 6/20 0.50
HPGD P15428 6/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.49
ALOX15 P16050 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
PTGS2 P35354 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

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
SCHEMBL1914108 0.94 SLC6A3 (0.54) HSD17B10ALDH1A1TSHRKMT2AKDM4E
SCHEMBL4392121 0.91 HSD17B10 (0.62) HSD17B10ALDH1A1TSHRKMT2AKDM4E
SCHEMBL14244732 0.90 HSD17B10 (0.45) HSD17B10ALDH1A1TSHRKMT2AKDM4E
SCHEMBL1282647 0.89 HSD17B10 (0.64) HSD17B10ALDH1A1TSHRKMT2AKDM4E
SCHEMBL10910478 0.88 HSD17B10 (0.51) HSD17B10ALDH1A1TSHRKMT2AKDM4E
SCHEMBL14152349 0.87 HSD17B10 (0.62) HSD17B10ALDH1A1TSHRKMT2AKDM4E
SCHEMBL1282392 0.86 SLC6A3 (0.66) HSD17B10ALDH1A1TSHRKMT2AKDM4E
SCHEMBL360782 0.85 KDM4E (0.68) HSD17B10ALDH1A1TSHRKMT2AKDM4E
SCHEMBL4390472 0.82 CYP1A2 (0.56) HSD17B10ALDH1A1TSHRKMT2AKDM4E
SCHEMBL1282822 0.82 TSHR (0.59) HSD17B10ALDH1A1TSHRKMT2AKDM4E

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 9 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 claimed
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 claimed
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 claimed
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 claimed
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 HSD17B10 65/4885ALDH1A1 212/4885TSHR 1746/4885

“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.