SCHEMBL1999629

SCHEMBL1999629

COc1cc(C[NH])cc(OC)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.52
GAA P10253 4/20 0.50
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
TNKS2 Q9H2K2 2/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
PKM P14618 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
LMNA P02545 1/20 0.47
ALOX5 P09917 2/20 0.46
TNKS O95271 1/20 0.46

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
SCHEMBL16372690 0.81 AKR1B1 (0.71) AKR1B1GAAMAPTKDM4ETNKS2
SCHEMBL7702890 0.81 AKR1B1 (0.55) AKR1B1GAAMAPTKDM4ETNKS2
SCHEMBL901445 0.79 PTGS2 (0.64) AKR1B1GAAMAPTKDM4ETNKS2
SCHEMBL3149983 0.79 PTGS2 (0.64) GAAMAPTKDM4ECA9LMNA
SCHEMBL1067240 0.79 TNKS2 (0.55) AKR1B1GAAMAPTKDM4ETNKS2
SCHEMBL4054977 0.78 MAPT (0.51) AKR1B1GAAMAPTKDM4ETNKS2
SCHEMBL8713221 0.77 LMNA (0.52) AKR1B1GAAMAPTKDM4ETNKS2
SCHEMBL28512340 0.77 AKR1B1 (0.52) AKR1B1GAAMAPTKDM4ETNKS2
Methane SCHEMBL29229953 0.77 PTGS2 (0.61) AKR1B1GAAMAPTKDM4ETNKS2
SCHEMBL2002599 0.77 AKR1B1 (0.52) AKR1B1GAAMAPTKDM4ETNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233861-B1 6,8-DISUBSTITUTED-9-(HETEROCYCLYL) PURINES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN COSMETIC AND MEDICINAL APPLICATIONS USTAV EXPERIMENTALNI BOTANIKY AV CR V V I (CZ) 2019-04-10 EP disclosed
US-10093675-B2 6,8-disubstituted-9-(heterocyclyl)purines, compositions containing these derivatives and their use in cosmetic and medicinal applications USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2018-10-09 US disclosed
US-20170362236-A1 6,8-DISUBSTITUTED-9-(HETEROCYCLYL)PURINES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN COSMETIC AND MEDICINAL APPLICATIONS USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2017-12-21 US disclosed
EP-3233861-A1 6,8-DISUBSTITUTED-9-(HETEROCYCLYL)PURINES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN COSMETIC AND MEDICINAL APPLICATIONS Ustav Experimentalni Botaniky Av CR, V.V.I. (CZ) 2017-10-25 EP disclosed
WO-2016095880-A1 6,8-DISUBSTITUTED-9-(HETEROCYCLYL)PURINES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN COSMETIC AND MEDICINAL APPLICATIONS USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2016-06-23 WO disclosed
US-9073961-B2 Substitution derivatives of N6 -benzyladenosine-5′-monophosphate, methods of preparation thereof, use thereof as medicaments, and therapeutic preparations containing these compounds UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2015-07-07 US disclosed
EP-2563801-B1 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5´-MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATION CONTAINING THESE COMPOUNDS Univerzita Palackého v Olomouci (CZ) 2014-09-24 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-20130040908-A1 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5' -MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATIONS CONTAINING THESE COMPOUNDS BIOAPEX, S.R.O. (CZ) 2013-02-14 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 (5 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-20170362236-A1 6,8-DISUBSTITUTED-9-(HETEROCYCLYL)PURINES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN COSMETIC AND MEDICINAL APPLICATIONS PNP, UNG, NUDT1 AKR1B1 2674/4885GAA 621/4885MAPT 2981/4885
US-20090170879-A1 6,9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions P2RY6, UMPS, PNP AKR1B1 2335/4885GAA 773/4885MAPT 2860/4885
US-20130040908-A1 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5' -MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATIONS CONTAINING THESE COMPOUNDS MTAP, RNMT, NUDT1 AKR1B1 863/4885GAA 997/4885MAPT 4856/4885
US-10093675-B2 6,8-disubstituted-9-(heterocyclyl)purines, compositions containing these derivatives and their use in cosmetic and medicinal applications PNP, UNG, NUDT1 AKR1B1 2674/4885GAA 621/4885MAPT 2981/4885
US-20110230503-A1 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions P2RY6, UMPS, PNP AKR1B1 2335/4885GAA 773/4885MAPT 2860/4885

“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.