SCHEMBL1914005

SCHEMBL1914005

CCC(C)C(=O)Oc1ccccc1C(=O)OOC(=O)c1ccccc1OC(=O)C(C)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
TSHR P16473 3/20 0.44
KDM4E B2RXH2 6/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 4/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HPGD P15428 3/20 0.41
XBP1 P17861 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS2 P35354 3/20 0.40
ESR1 P03372 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HMGB1 P09429 1/20 0.40
GGT1 P19440 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
SCHEMBL1914219 0.93 SLC6A3 (0.51) ALDH1A1TSHRKDM4EKMT2AMEN1
SCHEMBL1914216 0.91 ELANE (0.44) ALDH1A1TSHRKDM4EKMT2AMEN1
SCHEMBL825450 0.87 HSD17B10 (0.51) ALDH1A1TSHRKDM4EKMT2AMEN1
SCHEMBL16139538 0.86 KDM4E (0.49) ALDH1A1TSHRKDM4EKMT2AMEN1
SCHEMBL15548526 0.85 KMT2A (0.49) ALDH1A1TSHRKDM4EKMT2AMEN1
SCHEMBL13268420 0.83 KDM4E (0.47) ALDH1A1TSHRKDM4EKMT2AMEN1
SCHEMBL825435 0.82 ELANE (0.56) ALDH1A1TSHRKDM4EKMT2AMEN1
SCHEMBL1914535 0.80 TSHR (0.46) ALDH1A1TSHRKDM4EKMT2AMEN1
SCHEMBL1914029 0.80 SLC6A3 (0.52) ALDH1A1TSHRKDM4EKMT2AMEN1
SCHEMBL17459128 0.79 L3MBTL1 (0.44) ALDH1A1TSHRKDM4EKMT2AHSD17B10

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 8 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
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 ALDH1A1 212/4885TSHR 1746/4885KDM4E 4061/4885

“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.