SCHEMBL4930786

SCHEMBL4930786

O=C(O)CCc1cc(Br)c(OCc2cc(NCC3CC3)cc(C(F)(F)F)c2)c(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 15/20 0.60
THRB P10828 15/20 0.60
ESR1 P03372 1/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
NR3C2 P08235 1/20 0.47
AR P10275 1/20 0.47
FFAR4 Q5NUL3 3/20 0.41
FFAR1 O14842 2/20 0.41
CRHR1 P34998 1/20 0.39
LIPC P11150 1/20 0.38
LIPG Q9Y5X9 1/20 0.38

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
SCHEMBL4930946 0.90 THRA (0.48) THRATHRBFFAR4FFAR1CRHR1
SCHEMBL4929184 0.90 THRB (0.47) THRATHRBCRHR1LIPCLIPG
SCHEMBL4928609 0.87 THRA (0.53) THRATHRBESR1NR3C1PGR
SCHEMBL4927417 0.86 THRA (0.57) THRATHRBESR1NR3C1PGR
SCHEMBL4360360 0.86 THRA (0.69) THRATHRBESR1NR3C1PGR
SCHEMBL4931718 0.85 THRA (0.42) THRATHRBCRHR1LIPCLIPG
SCHEMBL5718189 0.85 THRA (0.46) THRATHRBESR1NR3C1PGR
SCHEMBL4933119 0.85 THRA (0.58) THRATHRBESR1NR3C1PGR
SCHEMBL4932126 0.85 THRA (0.42) THRATHRBCRHR1LIPCLIPG
SCHEMBL4926344 0.84 THRA (0.60) THRATHRBESR1NR3C1PGR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221210-A1 Thyroid Receptor Agonists KARO BIO AB (SE) 2008-09-11 US 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-20080221210-A1 Thyroid Receptor Agonists TSHR, TRHR, THRA THRA 3/4885THRB 4/4885ESR1 246/4885

“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.