SCHEMBL4897112

SCHEMBL4897112

O=C(O)C=Cc1cc(Br)c(OCc2cccc(OC(F)(F)F)c2)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
AKR1C3 P42330 3/20 0.51
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
ADAM17 P78536 1/20 0.47
THRB P10828 5/20 0.47
THRA P10827 4/20 0.47
MRGPRX4 Q96LA9 2/20 0.46
APP P05067 1/20 0.44
AKR1C2 P52895 1/20 0.43
ESR1 P03372 2/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
SLC6A4 P31645 1/20 0.43
USP28 Q96RU2 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
SCHEMBL4897106 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EPKMAKR1C3MMP2
SCHEMBL4897125 0.83 THRA (0.62) ALDH1A1KDM4EPKMTHRBTHRA
SCHEMBL4897130 0.83 THRA (0.62) ALDH1A1KDM4EPKMTHRBTHRA
SCHEMBL4896316 0.80 THRA (0.72) THRBTHRAMRGPRX4ESR1NR3C1
SCHEMBL4899410 0.78 THRA (0.48) ALDH1A1KDM4EPKMAKR1C3ADAM17
SCHEMBL4900593 0.78 KDM4E (0.50) ALDH1A1KDM4EPKMAKR1C3THRB
SCHEMBL4899413 0.78 THRA (0.48) ALDH1A1KDM4EPKMAKR1C3ADAM17
SCHEMBL4900599 0.78 KDM4E (0.50) ALDH1A1KDM4EPKMAKR1C3THRB
SCHEMBL30507875 0.76 ALDH1A1 (0.60) ALDH1A1KDM4EPKMAKR1C3THRB
SCHEMBL1052398 0.76 ALDH1A1 (0.60) ALDH1A1KDM4EPKMAKR1C3THRB

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 ALDH1A1 962/4885KDM4E 1847/4885PKM 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.