SCHEMBL1914219

SCHEMBL1914219

CCC(C)C(=O)Oc1ccccc1C(=O)OOC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.51
LMNA P02545 3/20 0.46
F2 P00734 1/20 0.46
KDM4E B2RXH2 5/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 5/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
ELANE P08246 1/20 0.40
ALDH1A1 P00352 5/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39

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
SCHEMBL1914005 0.93 ALDH1A1 (0.44) SLC6A3LMNAKDM4EKMT2AMEN1
SCHEMBL1914029 0.88 SLC6A3 (0.52) SLC6A3LMNAF2KDM4EKMT2A
SCHEMBL1913773 0.86 SLC6A3 (0.56) SLC6A3LMNAF2KDM4EKMT2A
SCHEMBL1914216 0.85 ELANE (0.44) LMNAKDM4EKMT2AMEN1RECQL
SCHEMBL825435 0.85 ELANE (0.56) SLC6A3KDM4EKMT2AMEN1RECQL
SCHEMBL825445 0.84 MAPT (0.51) SLC6A3LMNAKMT2AMEN1HSD17B10
SCHEMBL825450 0.83 HSD17B10 (0.51) SLC6A3LMNAKDM4EKMT2AMEN1
SCHEMBL1913904 0.83 SLC6A3 (0.56) SLC6A3LMNAF2KDM4EKMT2A
SCHEMBL1913760 0.82 SLC6A3 (0.49) SLC6A3LMNAF2KDM4EKMT2A
SCHEMBL1913963 0.81 SLC6A3 (0.54) SLC6A3LMNAF2KDM4EKMT2A

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
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
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 SLC6A3 4856/4885LMNA 2314/4885F2 534/4885

“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.