Adapalene

Adapalene

SCHEMBL642210

COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2.[KH]

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

RARARARBRARG

The experimentally established mechanism targets of Adapalene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB known ✓ P10826 13/20 0.98
RARG known ✓ P13631 13/20 0.98
RARA known ✓ P10276 9/20 0.98
MEN1 O00255 3/20 0.98
KMT2A Q03164 3/20 0.98
NR1I2 O75469 1/20 0.98
LMNA P02545 1/20 0.98
PGR P06401 1/20 0.98
HSPD1 P10809 1/20 0.98
GOT1 P17174 1/20 0.98
GLRA1 P23415 1/20 0.98
BLM P54132 1/20 0.98
HSPE1 P61604 1/20 0.98
TDP1 Q9NUW8 1/20 0.98
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 1/20 0.69
TP53 P04637 1/20 0.69
CYP3A4 P08684 1/20 0.69
MAPT P10636 1/20 0.69
HPGD P15428 1/20 0.69

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
Adapalene SCHEMBL29688458 0.99 RARB (1.00) RARBRARGRARAMEN1KMT2A
Adapalene SCHEMBL2747 0.99 RARB (1.00) RARBRARGRARAMEN1KMT2A
Adapalene SCHEMBL26688757 0.99 RARB (1.00) RARBRARGRARAMEN1KMT2A
Adapalene SCHEMBL29393098 0.99 RARB (1.00) RARBRARGRARAMEN1KMT2A
Adapalene SCHEMBL29357372 0.99 RARB (1.00) RARBRARGRARAMEN1KMT2A
Adapalene SCHEMBL4302240 0.99 RARB (1.00) RARBRARGRARAMEN1KMT2A
Adapalene SCHEMBL29356474 0.99 RARB (1.00) RARBRARGRARAMEN1KMT2A
Adapalene SCHEMBL9334083 0.98 RARB (0.98) RARBRARGRARAMEN1KMT2A
Adapalene SCHEMBL642212 0.98 RARB (0.98) RARBRARGRARAMEN1KMT2A
Adapalene SCHEMBL31539457 0.98 RARB (0.98) RARBRARGRARAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871972-B2 Process for the preparation of adapalene and related compounds JORDI PUIG SERRANO (ZA) 2014-10-28 US disclosed
US-20130030214-A1 PROCESS FOR THE PREPARATION OF ADAPALENE AND RELATED COMPOUNDS MEDICHEM, S.A. (ES) 2013-01-31 US disclosed
US-8119834-B2 Process for the preparation of adapalene and related compounds MEDICHEM, S.A. (ES) 2012-02-21 US disclosed
EP-1902010-B1 PROCESS FOR THE PREPARATION OF ADAPALENE AND RELATED COMPOUNDS MEDICHEM SA (ES) 2011-11-30 EP disclosed
US-20090131713-A1 Process for the Preparation of Adapalene and Related Compounds MEDICHEM, S.A. (ES) 2009-05-21 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 (2 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-20090131713-A1 Process for the Preparation of Adapalene and Related Compounds DHPS, SQLE, CYP51A1 RARB 8/4885RARG 11/4885RARA 9/4885
US-20130030214-A1 PROCESS FOR THE PREPARATION OF ADAPALENE AND RELATED COMPOUNDS DHPS, SQLE, CYP51A1 RARB 8/4885RARG 11/4885RARA 9/4885

“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.