SCHEMBL2001235

SCHEMBL2001235

COc1cc(O)cc(OC)c1CN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ ALOX5 P09917 5/20 0.47
▸ PTGS2 P35354 4/20 0.47
▸ MAOB P27338 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ TSHR P16473 2/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ NFKB1 P19838 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ SYNJ2 O15056 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL12776535 0.79 ACHE (0.52) CYP3A4TAAR1
SCHEMBL23861312 0.79 GAA (0.47) CYP3A4MAPTTDP1TSHRTAAR1
SCHEMBL31207104 0.79 CYP3A4 (0.56) CYP3A4MAPTALOX5PTGS2MAOB
SCHEMBL442070 0.79 CYP1A2 (0.50) CYP3A4TAAR1CYP1A2PTPN1
Hydrochloric Acid SCHEMBL1093815 0.77 CYP1A2 (0.48) CYP3A4MAPTTAAR1CYP1A2MEN1
SCHEMBL2001233 0.77 MAPT (0.54) CYP3A4MAPTALOX5PTGS2MAOB
SCHEMBL7114104 0.76 ALOX5 (0.53) CYP3A4MAPTALOX5PTGS2MAOB
SCHEMBL12696227 0.76 MAPT (0.52) CYP3A4MAPTALOX5PTGS2MAOB
SCHEMBL12696219 0.74 MAPT (0.50) CYP3A4MAPTALOX5PTGS2MAOB
SCHEMBL3808045 0.74 CYP3A4 (0.50) CYP3A4MAPTALOX5PTGS2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430036-B1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2014-07-30 — — EP disclosed
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
US-7507837-B2 Process for performing an isolated Pd(II)-mediated oxidation reaction COMBIMATRIX CORPORATION (US) 2009-03-24 — — US disclosed
US-20060205959-A1 Process for performing an isolated Pd(II)-mediated oxidation reaction COMBIMATRIX CORPORATION AND WASHINGTON UNIVERSITY 2006-09-14 — — 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 CYP3A4 3342/4885MAPT 2860/4885ALOX5 502/4885
US-20110230503-A1 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions P2RY6, UMPS, PNP CYP3A4 3342/4885MAPT 2860/4885ALOX5 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.

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