SCHEMBL2002386

SCHEMBL2002386

[NH]c1ccc(O)c(O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.40
▸ SELL P14151 1/20 0.40
▸ SELP P16109 1/20 0.40
▸ ADAMTS4 O75173 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL29373601 0.79 ALDH1A1 (0.57) PIM1SELLSELPADAMTS4ALDH1A1
SCHEMBL338346 0.79 ALDH1A1 (0.57) PIM1SELLSELPADAMTS4ALDH1A1
Hydrochloric Acid SCHEMBL28771575 0.75 ALDH1A1 (0.53) PIM1SELLSELPADAMTS4ALDH1A1
Hydrochloric Acid SCHEMBL21799214 0.75 ALDH1A1 (0.53) PIM1SELLSELPADAMTS4ALDH1A1
Formaldehyde SCHEMBL12802314 0.69 SELL (0.52) PIM1SELLSELPADAMTS4ALDH1A1
SCHEMBL29737462 0.67 ALDH1A1 (0.44) PIM1SELLSELPADAMTS4ALDH1A1
SCHEMBL1883019 0.67 ALDH1A1 (0.44) PIM1SELLSELPADAMTS4ALDH1A1
Methoxymethane SCHEMBL28772216 0.67 ALDH1A1 (0.50) PIM1SELLSELPADAMTS4ALDH1A1
Acetone SCHEMBL28847116 0.65 SELL (0.55) PIM1SELLSELPADAMTS4ALDH1A1
Formic Acid SCHEMBL2160835 0.65 SELL (0.48) PIM1SELLSELPADAMTS4ALDH1A1

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 PIM1 4530/4885SELL 3715/4885SELP 3316/4885
US-20110230503-A1 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions P2RY6, UMPS, PNP PIM1 4530/4885SELL 3715/4885SELP 3316/4885

“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.

Send feedback