SCHEMBL4900331

SCHEMBL4900331

O=C(O)CCc1cc(Br)c(OCc2ccc3ccccc3n2)c(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.67
AKR1B1 P15121 1/20 0.67
THRA P10827 8/20 0.65
THRB P10828 8/20 0.65
CYSLTR1 Q9Y271 10/20 0.57
CYSLTR2 Q9NS75 9/20 0.57
ESR1 P03372 1/20 0.57
NR3C1 P04150 1/20 0.57
PGR P06401 1/20 0.57
NR3C2 P08235 1/20 0.57
AR P10275 1/20 0.57
GPBAR1 Q8TDU6 2/20 0.51

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
SCHEMBL4897754 0.81 THRA (0.76) FFAR1THRATHRBESR1NR3C1
SCHEMBL4896366 0.81 THRA (0.71) FFAR1THRATHRBESR1NR3C1
SCHEMBL9656045 0.80 CYSLTR1 (0.85) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL8649544 0.80 FFAR1 (0.97) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL4896426 0.78 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1
SCHEMBL4896419 0.78 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9581742 0.77 FFAR1 (0.68) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL7454187 0.77 CYSLTR1 (0.77) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL9034967 0.77 FFAR1 (0.55) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL4893191 0.77 THRA (0.65) FFAR1AKR1B1THRATHRBESR1

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 FFAR1 43/4885AKR1B1 130/4885THRA 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.