SCHEMBL4829265

SCHEMBL4829265

COc1ccc(-c2c(C=CC(=O)O)cnn2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
ATM Q13315 1/20 0.51
GAA P10253 1/20 0.49
CCNC P24863 2/20 0.47
CDK8 P49336 2/20 0.47
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PTGS2 P35354 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
PTGS1 P23219 1/20 0.41
FTO Q9C0B1 1/20 0.40
PDE4A P27815 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
SCHEMBL4829251 1.00 THRB (0.51) THRBATMGAACCNCCDK8
SCHEMBL4834746 1.00 THRB (0.51) THRBATMGAACCNCCDK8
SCHEMBL4833248 0.85 CCNC (0.50) THRBGAACCNCCDK8KDM4E
SCHEMBL4833261 0.85 CCNC (0.50) THRBGAACCNCCDK8KDM4E
SCHEMBL4829098 0.84 PTGS1 (0.54) ATMGAACCNCCDK8KDM4E
SCHEMBL4829106 0.84 PTGS1 (0.54) ATMGAACCNCCDK8KDM4E
SCHEMBL4831079 0.83 CCNC (0.49) CCNCCDK8KDM4ENPC1RAB9A
SCHEMBL4825815 0.83 CCNC (0.49) CCNCCDK8KDM4ENPC1RAB9A
SCHEMBL4831077 0.83 CCNC (0.49) CCNCCDK8KDM4ENPC1RAB9A
SCHEMBL4833832 0.83 CCNC (0.49) CCNCCDK8KDM4ENPC1RAB9A

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
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 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 (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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 THRB 438/4885ATM 3758/4885GAA 4645/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 THRB 438/4885ATM 3758/4885GAA 4645/4885

“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.