SCHEMBL4900599

SCHEMBL4900599

O=C(O)C=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
PTGER3 P43115 2/20 0.49
PTGDR Q13258 2/20 0.49
TBXA2R P21731 1/20 0.49
PTGER4 P35408 1/20 0.49
PTGFR P43088 1/20 0.49
PTGER2 P43116 1/20 0.49
APP P05067 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
RAB9A P51151 2/20 0.47
THRA P10827 3/20 0.45
THRB P10828 3/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
LMNA P02545 1/20 0.43
AKR1C4 P17516 1/20 0.42
AKR1C1 Q04828 1/20 0.42

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
SCHEMBL4900593 1.00 KDM4E (0.50) KDM4EALDH1A1PKMPTGER3PTGDR
SCHEMBL4897167 0.90 APP (0.61) KDM4EALDH1A1APPABCG2LMNA
SCHEMBL4897176 0.90 APP (0.61) KDM4EALDH1A1APPABCG2LMNA
SCHEMBL4897130 0.82 THRA (0.62) KDM4EALDH1A1PKMAPPTHRA
SCHEMBL4897125 0.82 THRA (0.62) KDM4EALDH1A1PKMAPPTHRA
SCHEMBL4896426 0.80 CYSLTR1 (0.53) RAB9A
SCHEMBL4896419 0.80 CYSLTR1 (0.53) RAB9A
SCHEMBL4897106 0.78 ALDH1A1 (0.51) KDM4EALDH1A1PKMAPPTHRA
SCHEMBL4897112 0.78 ALDH1A1 (0.51) KDM4EALDH1A1PKMAPPTHRA
SCHEMBL4899410 0.78 THRA (0.48) KDM4EALDH1A1PKMAPPTHRA

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 KDM4E 1847/4885ALDH1A1 962/4885PKM 2485/4885

“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.