SCHEMBL2001233

SCHEMBL2001233

COc1cc(O)cc(OC)c1C[NH]

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX5 P09917 5/20 0.47
PTGS2 P35354 5/20 0.47
MAOB P27338 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
SYNJ2 O15056 1/20 0.40
PTPN1 P18031 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A1 P04798 1/20 0.37
PTGS1 P23219 1/20 0.37
HTT P42858 1/20 0.36
TTR P02766 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL2089775 0.79 ALDH1A1 (0.46) CYP3A4PTPN1CYP1A1
SCHEMBL31207104 0.79 CYP3A4 (0.56) MAPTCYP3A4ALOX5PTGS2MAOB
SCHEMBL2001235 0.77 CYP3A4 (0.54) MAPTCYP3A4ALOX5PTGS2MAOB
SCHEMBL7114104 0.76 ALOX5 (0.53) MAPTCYP3A4ALOX5PTGS2MAOB
SCHEMBL12696227 0.76 MAPT (0.52) MAPTCYP3A4ALOX5PTGS2MAOB
SCHEMBL12696219 0.74 MAPT (0.50) MAPTCYP3A4ALOX5PTGS2MAOB
SCHEMBL3808045 0.74 CYP3A4 (0.50) MAPTCYP3A4ALOX5PTGS2MAOB
SCHEMBL2002889 0.73 CYP3A4 (0.61) MAPTCYP3A4ALOX5PTGS2MAOB
SCHEMBL67495 0.73 PTGS2 (0.64) MAPTCYP3A4ALOX5PTGS2MAOB
SCHEMBL2905061 0.73 CYP3A4 (0.54) MAPTCYP3A4PTGS2TDP1PTPN1

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
EP-2245031-B1 6,9-DISUBSTITUTED PURINE DERIVATIVES AND THEIR USE AS COSMETICS AND COSMETIC COMPOSITIONS INST OF EX BOTANY ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2014-02-26 EP disclosed
US-8575182-B2 6, 9-disubstituted purine derivatives and their use as cosmetics and cosmetic compositions Institute of Experimental Botany, Academy of Sciences of the Czeck Republic (CZ) 2013-11-05 US disclosed
US-20110230503-A1 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions SZUCOVA LUCIE 2011-09-22 US disclosed
US-7960397-B2 6,9-disubstituted purine derivatives and their use as cosmetics and cosmetic compositions INSTITUTE OF EXPERIMENTAL BOTANY, ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2011-06-14 US disclosed
US-20090170879-A1 6,9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions SZUCOVA LUCIE 2009-07-02 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-20090170879-A1 6,9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions P2RY6, UMPS, PNP MAPT 2860/4885CYP3A4 3342/4885ALOX5 502/4885
US-20110230503-A1 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions P2RY6, UMPS, PNP MAPT 2860/4885CYP3A4 3342/4885ALOX5 502/4885

“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.