SCHEMBL3672070

SCHEMBL3672070

Cc1nc2ccccc2nc1[C@H](O)CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ MAPT P10636 5/20 0.44
▸ CYP1A2 P05177 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.40
▸ HPGD P15428 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ GPR3 P46089 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL5810725 1.00 ALDH1A1 (0.44) ALDH1A1MAPTCYP1A2KDM4EHSD17B10
SCHEMBL31290951 0.88 ALDH1A1 (0.40) ALDH1A1MAPTCYP1A2KDM4EHSD17B10
SCHEMBL27809942 0.79 CYP1A2 (0.48) ALDH1A1MAPTCYP1A2KDM4EHSD17B10
SCHEMBL31003174 0.79 CYP1A2 (0.48) ALDH1A1MAPTCYP1A2KDM4EHSD17B10
Water SCHEMBL27809943 0.77 CYP1A2 (0.47) ALDH1A1MAPTCYP1A2KDM4EHSD17B10
SCHEMBL13836819 0.75 KMT2A (0.49) ALDH1A1KDM4EHPGDGAAL3MBTL1
SCHEMBL11327423 0.74 MAPT (0.47) ALDH1A1MAPTCYP1A2KDM4EHSD17B10
SCHEMBL14993411 0.72 CYP1A2 (0.45) ALDH1A1MAPTCYP1A2KDM4EHSD17B10
SCHEMBL13837206 0.70 MBNL1 (0.44) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL13837134 0.70 PRKAA2 (0.36) ALDH1A1CYP1A2L3MBTL1POLBSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652172-B2 Expeditious synthesis of DPD THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-01-26 — — US disclosed
US-20090018368-A1 EXPEDITIOUS SYNTHESIS OF DPD THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-01-15 — — US disclosed
WO-2006034269-A1 EXPEDITIOUS SYNTHESIS OF DPD THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2006-03-30 — — WO 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 (1 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-20090018368-A1 EXPEDITIOUS SYNTHESIS OF DPD PGD, DBI, DPY30 ALDH1A1 2955/4885MAPT 4867/4885CYP1A2 4585/4885

“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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