SCHEMBL2005404

SCHEMBL2005404

COc1ccc([NH])cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
AOX1 Q06278 1/20 0.52
CYP1A2 P05177 2/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 2/20 0.48
CYP3A4 P08684 1/20 0.48
NFKB1 P19838 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
APP P05067 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
TP53 P04637 1/20 0.48
TUBB1 Q9H4B7 8/20 0.47
TUBB4A P04350 4/20 0.47
TUBB P07437 4/20 0.47
TUBA3C P0DPH7 4/20 0.47
TUBA1B P68363 4/20 0.47
TUBA4A P68366 4/20 0.47
TUBB4B P68371 4/20 0.47

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
SCHEMBL2003972 0.82 MAOB (0.61) ALDH1A1TSHRCYP3A4CA1CA2
SCHEMBL1401597 0.78 CA2 (0.54) ALDH1A1CYP1A2TSHRCYP3A4CA1
SCHEMBL14265507 0.77 ALDH1A1 (0.52) ALDH1A1AOX1CYP1A2MAPTTSHR
SCHEMBL31086325 0.77 ALDH1A1 (0.52) ALDH1A1AOX1CYP1A2MAPTTSHR
SCHEMBL68212 0.76 MAOB (0.67) ALDH1A1AOX1CYP1A2MAPTTSHR
SCHEMBL29692356 0.76 MAOB (0.67) ALDH1A1AOX1CYP1A2MAPTTSHR
SCHEMBL218637 0.74 ACHE (0.62) ALDH1A1AOX1CYP1A2MAPTTSHR
SCHEMBL581508 0.74 TUBB4A (0.63) ALDH1A1AOX1CYP1A2MAPTTSHR
SCHEMBL29398758 0.74 ACHE (0.62) ALDH1A1AOX1CYP1A2MAPTTSHR
SCHEMBL366147 0.73 TSHR (0.54) ALDH1A1AOX1CYP1A2MAPTTSHR

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 ALDH1A1 513/4885AOX1 555/4885CYP1A2 2078/4885
US-20110230503-A1 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions P2RY6, UMPS, PNP ALDH1A1 513/4885AOX1 555/4885CYP1A2 2078/4885

“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.