SCHEMBL641031

SCHEMBL641031

COc1ccc(-c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.67
RARA P10276 5/20 0.67
RARG P13631 5/20 0.67
LMNA P02545 3/20 0.67
TDP1 Q9NUW8 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
NR1I2 O75469 1/20 0.67
PGR P06401 1/20 0.67
HSPD1 P10809 1/20 0.67
GOT1 P17174 1/20 0.67
GLRA1 P23415 1/20 0.67
BLM P54132 1/20 0.67
HSPE1 P61604 1/20 0.67
HDAC11 Q96DB2 4/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60

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
SCHEMBL8776315 0.92 RARB (0.64) RARBRARARARGLMNATDP1
SCHEMBL566075 0.91 HDAC11 (0.62) RARBRARARARGLMNATDP1
SCHEMBL5827886 0.89 RARB (0.70) RARBRARARARGLMNATDP1
SCHEMBL13550931 0.87 RARB (0.69) RARBRARARARGLMNATDP1
SCHEMBL5827566 0.87 HDAC11 (0.68) RARBRARARARGLMNATDP1
SCHEMBL29869357 0.87 RARB (0.69) RARBRARARARGLMNATDP1
SCHEMBL10046790 0.87 RARB (0.59) RARBRARARARGLMNATDP1
SCHEMBL25206571 0.86 RARB (0.67) RARBRARARARGLMNATDP1
SCHEMBL1196452 0.86 RARB (0.67) RARBRARARARGLMNATDP1
SCHEMBL14027627 0.86 RARB (0.82) RARBRARARARGLMNATDP1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150141696-A1 PROCESS FOR THE PREPARATION OF ADAPALENE AND RELATED COMPOUNDS MEDICHEM SA (ES) 2015-05-21 US claimed
US-8871972-B2 Process for the preparation of adapalene and related compounds JORDI PUIG SERRANO (ZA) 2014-10-28 US claimed
US-20130030214-A1 PROCESS FOR THE PREPARATION OF ADAPALENE AND RELATED COMPOUNDS MEDICHEM, S.A. (ES) 2013-01-31 US claimed
US-8119834-B2 Process for the preparation of adapalene and related compounds MEDICHEM, S.A. (ES) 2012-02-21 US claimed
EP-1902010-B1 PROCESS FOR THE PREPARATION OF ADAPALENE AND RELATED COMPOUNDS MEDICHEM SA (ES) 2011-11-30 EP claimed
US-20090131713-A1 Process for the Preparation of Adapalene and Related Compounds MEDICHEM, S.A. (ES) 2009-05-21 US claimed
EP-1902010-A2 PROCESS FOR THE PREPARATION OF ADAPALENE AND RELATED COMPOUNDS Medichem, S.A. (ES) 2008-03-26 EP claimed
WO-2007072217-A2 PROCESS FOR THE PREPARATION OF ADAPALENE AND RELATED COMPOUNDS MEDICHEM, S.A. (US) 2007-06-28 WO claimed
US-20150141696-A1 PROCESS FOR THE PREPARATION OF ADAPALENE AND RELATED COMPOUNDS MEDICHEM SA (ES) 2015-05-21 US disclosed
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
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-7498461-B2 Method for the preparation of 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoic acid GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-03 US disclosed
US-7498461-B2 Method for the preparation of 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoic acid GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-03 US disclosed
US-20080091045-A1 Novel method for the preparation of 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoic acid GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-04-17 US disclosed
US-20080091045-A1 Novel method for the preparation of 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoic acid GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-04-17 US disclosed
EP-1902010-A2 PROCESS FOR THE PREPARATION OF ADAPALENE AND RELATED COMPOUNDS Medichem, S.A. (ES) 2008-03-26 EP disclosed
WO-2007072217-A2 PROCESS FOR THE PREPARATION OF ADAPALENE AND RELATED COMPOUNDS MEDICHEM, S.A. (US) 2007-06-28 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 (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-20080091045-A1 Novel method for the preparation of 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoic acid CYP2B6, CYP2A6, CYP26B1 RARB 269/4885RARA 238/4885RARG 1057/4885
US-20090131713-A1 Process for the Preparation of Adapalene and Related Compounds DHPS, SQLE, CYP51A1 RARB 8/4885RARA 9/4885RARG 11/4885
US-20150141696-A1 PROCESS FOR THE PREPARATION OF ADAPALENE AND RELATED COMPOUNDS DHPS, SQLE, CYP51A1 RARB 8/4885RARA 9/4885RARG 11/4885
US-20130030214-A1 PROCESS FOR THE PREPARATION OF ADAPALENE AND RELATED COMPOUNDS DHPS, SQLE, CYP51A1 RARB 8/4885RARA 9/4885RARG 11/4885

“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.