SCHEMBL13902897

SCHEMBL13902897

O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H]1O)c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.64
DNPH1 O43598 2/20 0.61
P2RY2 P41231 1/20 0.61
P2RY1 P47900 1/20 0.61
P2RY6 Q15077 1/20 0.61
LMNA P02545 2/20 0.60
ABCB1 P08183 1/20 0.58
GSK3A P49840 1/20 0.58
RPS6KA3 P51812 1/20 0.58
MAPK14 Q16539 1/20 0.58
P2RX3 P56373 1/20 0.57
P2RX4 Q99571 1/20 0.57
P2RX2 Q9UBL9 1/20 0.57
BMPR1B O00238 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GLA P06280 1/20 0.56
PMP22 Q01453 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL14394700 1.00 P2RY12 (0.64) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL23169438 0.92 LMNA (0.57) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL13170100 0.92 LMNA (0.71) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL6597269 0.92 P2RY12 (0.63) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL6597278 0.92 P2RY12 (0.63) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL17824398 0.89 P2RY12 (0.81) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL30666149 0.89 P2RY12 (0.81) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL233209 0.88 LMNA (0.72) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL19485512 0.88 LMNA (0.72) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL21953578 0.88 LMNA (0.72) LMNAALDH1A1GLAPMP22SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1878470-B1 Skin depigmentation method OREAL (FR) 2009-03-11 EP disclosed
EP-1878470-A1 Skin depigmentation method L'Oréal (FR) 2008-01-16 EP disclosed
US-20070258921-A1 PROCESS FOR DEPIGMENTING THE SKIN L'OREAL (FR) 2007-11-08 US disclosed
US-20070237734-A1 ANTI-WRINKLE COSMETIC COMPOSITION L'OREAL (FR) 2007-10-11 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-20070258921-A1 PROCESS FOR DEPIGMENTING THE SKIN TYR, CUTA, NQO1 P2RY12 4111/4885DNPH1 435/4885P2RY2 4552/4885
US-20070237734-A1 ANTI-WRINKLE COSMETIC COMPOSITION ADORA2A, ADORA3, ADORA1 P2RY12 329/4885DNPH1 1518/4885P2RY2 178/4885

“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.