SCHEMBL4497888

SCHEMBL4497888

CCC(=Cc1c[nH]c(=O)[nH]c1=O)c1c[nH]c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPYD Q12882 3/20 0.46
GAA P10253 2/20 0.42
ATAD2 Q6PL18 1/20 0.38
TYMP P19971 1/20 0.36
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP19A1 P11511 1/20 0.34
TSHR P16473 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
HTT P42858 1/20 0.34
HBB P68871 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSL P07711 1/20 0.34
KDM3B Q7LBC6 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL12050193 0.73 GAA (0.45) DPYDGAAATAD2LMNAMAPT
SCHEMBL1558078 0.72 DPYD (0.59) DPYDGAAATAD2LMNAMAPT
SCHEMBL7601482 0.71 DPYD (0.49) DPYDGAAATAD2LMNAMAPT
SCHEMBL8916051 0.71 DPYD (0.49) DPYDGAAATAD2LMNAMAPT
SCHEMBL1052480 0.68 DPYD (0.53) DPYDGAAATAD2LMNAMAPT
SCHEMBL190958 0.66 GAA (0.50) DPYDGAAATAD2LMNAMAPT
SCHEMBL7599067 0.66 DPYD (0.42) DPYDGAAATAD2LMNAMAPT
SCHEMBL124965 0.66 KMT2A (0.60) GAALMNAMAPTALDH1A1TSHR
SCHEMBL48228 0.66 DPYD (0.65) DPYDGAAATAD2LMNAMAPT
SCHEMBL10696940 0.66 DPYD (0.65) DPYDGAAATAD2LMNAMAPT

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
EP-2124919-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-12-02 EP claimed
US-20080318987-A1 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 US claimed
WO-2008103314-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-08-28 WO claimed

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-20080318987-A1 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION BMP4, BMP2, SOST DPYD 3965/4885GAA 2152/4885ATAD2 2963/4885

“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.