SCHEMBL4888397

SCHEMBL4888397

CCCCOc1c(Cl)cc(C(=O)C(=O)O)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.53
ESR1 P03372 1/20 0.50
THRA P10827 3/20 0.49
THRB P10828 3/20 0.49
PLA2G2A P14555 2/20 0.45
KDM4E B2RXH2 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL4891284 0.94 PLA2G2A (0.54) PLAUESR1THRATHRBPLA2G2A
SCHEMBL1708361 0.88 PLAU (0.68) PLAUESR1THRATHRBPLA2G2A
SCHEMBL1707251 0.85 ESR1 (0.51) PLAUESR1THRATHRBPLA2G2A
SCHEMBL6557422 0.82 PLA2G2A (0.64) PLAUTHRATHRBPLA2G2ATP53
SCHEMBL12432454 0.82 PLA2G2A (0.64) PLAUTHRATHRBPLA2G2ATP53
SCHEMBL4898942 0.81 THRA (0.55) ESR1THRATHRBPLA2G2AKDM4E
SCHEMBL566358 0.79 PLAU (0.70) PLAUPLA2G2ALMNAHTT
SCHEMBL11346598 0.79 S1PR2 (0.49) PLAUESR1THRATHRBPLA2G2A
SCHEMBL6559420 0.79 S1PR2 (0.49) PLAUESR1THRATHRBPLA2G2A
SCHEMBL4890126 0.78 GLRA1 (0.46) THRATHRBPLA2G2ATP53TSHR

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-20080027096-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2008-01-31 US disclosed
EP-1729756-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2006-12-13 EP disclosed
WO-2005094810-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2005-10-13 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 (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-20080027096-A1 Novel Pharmaceutical Compositions AR, NR5A1, CYP17A1 PLAU 1826/4885ESR1 58/4885THRA 559/4885

“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.