SCHEMBL641032

SCHEMBL641032

COc1ccc(-c2ccc(OC)c(C3C4CC5CC(C4)CC3C5)c2)cc1C1C2CC3CC(C2)CC1C3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.43
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE4A P27815 6/20 0.39
PDE4B Q07343 6/20 0.39
PDE4C Q08493 6/20 0.39
PDE4D Q08499 6/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
PGR P06401 1/20 0.39
RARA P10276 1/20 0.39
HSPD1 P10809 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 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
SCHEMBL16516779 0.83 CYP3A4 (0.37) CYP3A4TDP1ALDH1A1CYP2C9CYP2C19
SCHEMBL645528 0.83 ALDH1A1 (0.45) CYP3A4TDP1ALDH1A1TSHRHSD17B10
SCHEMBL13067866 0.82 PDE4A (0.51) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL5315348 0.81 HDAC11 (0.50) HTR2CALDH1A1HSD17B10PDE4APDE4B
SCHEMBL5315345 0.81 HDAC11 (0.50) HTR2CALDH1A1HSD17B10PDE4APDE4B
SCHEMBL13067865 0.80 HDAC11 (0.49) ALDH1A1HSD17B10PDE4APDE4BPDE4C
SCHEMBL13310487 0.80 RARA (0.49) TDP1MEN1NR1I2LMNAPGR
SCHEMBL851880 0.80 ENPP2 (0.36) CYP3A4CYP2C9CYP2C19
SCHEMBL13310493 0.79 HDAC2 (0.64)
SCHEMBL7052653 0.79 HTR2C (0.46) HTR2CTDP1ALDH1A1MEN1KMT2A

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-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
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
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 (3 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 HTR2C 4319/4885CYP3A4 506/4885TDP1 1586/4885
US-20150141696-A1 PROCESS FOR THE PREPARATION OF ADAPALENE AND RELATED COMPOUNDS DHPS, SQLE, CYP51A1 HTR2C 4319/4885CYP3A4 506/4885TDP1 1586/4885
US-20130030214-A1 PROCESS FOR THE PREPARATION OF ADAPALENE AND RELATED COMPOUNDS DHPS, SQLE, CYP51A1 HTR2C 4319/4885CYP3A4 506/4885TDP1 1586/4885

“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.