SCHEMBL1665659

SCHEMBL1665659

O=Cc1ccccc1OC(=O)OC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
MMP9 P14780 3/20 0.39
MMP12 P39900 3/20 0.39
MMP1 P03956 2/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
MMP2 P08253 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL12671190 0.98 SRC (0.46) SRCPTGDR2ALDH1A1SMN1; SMN2HPGD
SCHEMBL1665920 0.97 PTGDR2 (0.46) SRCPTGDR2ALDH1A1SMN1; SMN2HPGD
SCHEMBL1665945 0.92 PTGDR2 (0.47) SRCPTGDR2ALDH1A1SMN1; SMN2HPGD
SCHEMBL1397132 0.88 FABP7 (0.40) SRCPTGDR2SMN1; SMN2FABP7FABP5
SCHEMBL1665901 0.81 SRC (0.38) SRCPTGDR2ALDH1A1HPGDLMNA
SCHEMBL1666053 0.81 ALDH1A1 (0.46) PTGDR2ALDH1A1KMT2ALMNAGAA
SCHEMBL11779563 0.80 SRC (0.49) SRCPTGDR2ALDH1A1SMN1; SMN2HPGD
SCHEMBL1665204 0.80 SRC (0.39) SRCPTGDR2ALDH1A1HPGDLMNA
SCHEMBL1665185 0.79 ALDH1A1 (0.47) PTGDR2ALDH1A1KMT2ALMNAMEN1
SCHEMBL1006065 0.79 ALDH1A1 (0.59) SRCPTGDR2ALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2493905-B1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS WARNER CHILCOTT CO LLC (PR) 2016-11-30 EP disclosed
CN-102741225-B Novel peroxide derivative, its preparation method and in physianthropy and be used for the treatment of or preventing the purposes in the makeup of acne GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-10-21 CN disclosed
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-8822435-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2014-09-02 US disclosed
US-20140194389-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2014-07-10 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-8710215-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2014-04-29 US disclosed
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2013-02-07 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
US-8314081-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2012-11-20 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
CN-102741225-A 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 2012-10-17 CN disclosed
EP-2493905-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS Warner Chilcott Company, LLC (PR) 2012-09-05 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
WO-2011056589-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS WARNER CHILCOTT COMPANY, LLC (US) 2011-05-12 WO disclosed
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2011-04-28 US 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-20140194389-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN SRC 4255/4885PTGDR2 249/4885ALDH1A1 2404/4885
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 SRC 3274/4885PTGDR2 1038/4885ALDH1A1 212/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN SRC 4255/4885PTGDR2 249/4885ALDH1A1 2404/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN SRC 4255/4885PTGDR2 249/4885ALDH1A1 2404/4885

“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.