SCHEMBL12475663

SCHEMBL12475663

CC(c1ccccn1)c1ccc(O)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.58
MGAM O43451 2/20 0.41
GAA P10253 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
NQO1 P15559 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
AHR P35869 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
BRD4 O60885 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GRK6 P43250 1/20 0.37

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
SCHEMBL20621456 0.83 GABRA1 (0.55) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL20621455 0.83 GABRA1 (0.55) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL989479 0.79 CYP1A2 (0.43) TYRGAANQO1CYP1A2CYP3A4
SCHEMBL20681680 0.77 NQO1 (0.40) TYRNQO1CYP1A2CYP3A4AHR
SCHEMBL8018546 0.77 TYR (0.43) TYRGAANQO1SLC6A2SLC6A4
SCHEMBL51618 0.76 TYR (0.70) TYRSLC6A2
SCHEMBL1772723 0.76 ESR1 (0.54) TYRCYP1A2CYP3A4AHRSLC6A2
SCHEMBL13532442 0.75 TYR (0.70) TYRMGAMGAASIMGAM2
SCHEMBL725091 0.74 SLC6A2 (0.54) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL18815425 0.74 TYR (1.00) TYRMGAMGAASIMGAM2

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 16 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 claimed
EP-2673261-B1 HETEROCYCLIC RESORCINOL DERIVATIVES, PREPARATION OF SAME AND COSMETIC USES THEREOF PIERRE FABRE DERMO COSMÉTIQUE (FR) 2015-12-16 EP claimed
US-20140050683-A1 HETEROCYCLIC RESORCINOL DERIVATIVES, PREPARATION OF SAME AND COSMETIC USES THEREOF PIERRE FABRE DERMO-COSMETIQUE (FR) 2014-02-20 US claimed
EP-2673261-A1 HETEROCYCLIC RESORCINOL DERIVATIVES, PREPARATION OF SAME AND COSMETIC USES THEREOF Pierre Fabre Dermo-Cosmétique (FR) 2013-12-18 EP claimed
WO-2012107421-A1 HETEROCYCLIC RESORCINOL DERIVATIVES, PREPARATION OF SAME AND COSMETIC USES THEREOF PIERRE FABRE DERMO-COSMETIQUE (FR) 2012-08-16 WO claimed
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
CN-103380114-A Resorcinol heterocyclic derivatives, their preparation and their cosmetic use FABRE PIERRE DERMO COSMETIQUE 2013-10-30 CN 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 TYR 38/4885MGAM 3759/4885GAA 1292/4885

“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.