SCHEMBL12475641

SCHEMBL12475641

CC(O)(c1ccccn1)c1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
LTA4H P09960 1/20 0.42
MAPK14 Q16539 1/20 0.42
ALOX5 P09917 1/20 0.41
ALOX5AP P20292 1/20 0.41
MAOB P27338 4/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
ACSS2 Q9NR19 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
SCHEMBL4063734 0.82 ALOX5 (0.50) ALOX5ALOX5APMAOBMRGPRX4LMNA
SCHEMBL30779646 0.82 ALOX5 (0.50) ALOX5ALOX5APMAOBMRGPRX4LMNA
SCHEMBL15477426 0.80 GPR132 (0.48) CYP3A4ALOX5LMNACYP1A2CYP2C19
SCHEMBL3814033 0.76 ALOX5 (0.50) ALOX5ALOX5APMAOBMRGPRX4LMNA
SCHEMBL22303460 0.74 ALOX5 (0.40) CYP3A4ALOX5ALOX5APMAOBMRGPRX4
SCHEMBL4640614 0.71 RXRA (0.53) ALOX5APMAOBMRGPRX4MEN1KMT2A
SCHEMBL17448841 0.70 MAOB (0.50) CYP3A4ALOX5MAOBLMNACYP1A2
SCHEMBL20607841 0.70 MAOB (0.50) ALOX5MAOBMRGPRX4LMNACYP1A2
SCHEMBL13412635 0.69 ALOX5 (0.63) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL17024328 0.69 ALOX5 (0.47) CYP3A4ALOX5MAOBMRGPRX4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422261-B2 Heterocyclic resorcinol derivatives, preparation of same and cosmetic uses thereof PIERRE FABRE DERMO-COSMETIQUE (FR) 2016-08-23 US disclosed
US-9422261-B2 Heterocyclic resorcinol derivatives, preparation of same and cosmetic uses thereof PIERRE FABRE DERMO-COSMETIQUE (FR) 2016-08-23 US disclosed
US-9422261-B2 Heterocyclic resorcinol derivatives, preparation of same and cosmetic uses thereof PIERRE FABRE DERMO-COSMETIQUE (FR) 2016-08-23 US disclosed
EP-2673261-B1 HETEROCYCLIC RESORCINOL DERIVATIVES, PREPARATION OF SAME AND COSMETIC USES THEREOF PIERRE FABRE DERMO COSMÉTIQUE (FR) 2015-12-16 EP disclosed
EP-2673261-B1 HETEROCYCLIC RESORCINOL DERIVATIVES, PREPARATION OF SAME AND COSMETIC USES THEREOF PIERRE FABRE DERMO COSMÉTIQUE (FR) 2015-12-16 EP disclosed
US-20140050683-A1 HETEROCYCLIC RESORCINOL DERIVATIVES, PREPARATION OF SAME AND COSMETIC USES THEREOF PIERRE FABRE DERMO-COSMETIQUE (FR) 2014-02-20 US disclosed
US-20140050683-A1 HETEROCYCLIC RESORCINOL DERIVATIVES, PREPARATION OF SAME AND COSMETIC USES THEREOF PIERRE FABRE DERMO-COSMETIQUE (FR) 2014-02-20 US disclosed
US-20140050683-A1 HETEROCYCLIC RESORCINOL DERIVATIVES, PREPARATION OF SAME AND COSMETIC USES THEREOF PIERRE FABRE DERMO-COSMETIQUE (FR) 2014-02-20 US disclosed
EP-2673261-A1 HETEROCYCLIC RESORCINOL DERIVATIVES, PREPARATION OF SAME AND COSMETIC USES THEREOF Pierre Fabre Dermo-Cosmétique (FR) 2013-12-18 EP disclosed
WO-2012107421-A1 HETEROCYCLIC RESORCINOL DERIVATIVES, PREPARATION OF SAME AND COSMETIC USES THEREOF PIERRE FABRE DERMO-COSMETIQUE (FR) 2012-08-16 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-20140050683-A1 HETEROCYCLIC RESORCINOL DERIVATIVES, PREPARATION OF SAME AND COSMETIC USES THEREOF NQO1, SQOR, CBR1 CYP3A4 219/4885LTA4H 572/4885MAPK14 4651/4885

“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.