SCHEMBL4353311

SCHEMBL4353311

O=c1[nH]cc(CCc2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPYD Q12882 1/20 0.50
GAA P10253 1/20 0.50
ATAD2 Q6PL18 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
CYP19A1 P11511 1/20 0.50
TSHR P16473 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50
HTT P42858 1/20 0.50
HBB P68871 1/20 0.50
PMP22 Q01453 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL2320491 0.87 ALDH1A1 (0.48) DPYDGAAATAD2ALDH1A1LMNA
SCHEMBL156784 0.87 ATAD2 (0.48) ATAD2
SCHEMBL7074433 0.87 LMNA (0.43) DPYDGAAATAD2ALDH1A1LMNA
SCHEMBL7070324 0.87 GAA (0.50) DPYDGAAATAD2ALDH1A1LMNA
SCHEMBL5800398 0.85
SCHEMBL356483 0.83 TYMP (0.49) ATAD2
SCHEMBL7599681 0.83 ALDH1A1 (0.45) DPYDGAAATAD2ALDH1A1LMNA
SCHEMBL161148 0.83 ATAD2 (0.54) DPYDGAAATAD2ALDH1A1LMNA
SCHEMBL7603360 0.82 ALDH1A1 (0.44) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL30464746 0.82 CYP3A4 (0.49) DPYD

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
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
EP-2124919-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-12-02 EP disclosed
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 disclosed
WO-2008103314-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-08-28 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-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.