SCHEMBL2865530

SCHEMBL2865530

O=C(O)CCc1cc(I)c(Oc2cc(I)c(OCc3ccccc3)c(I)c2)c(I)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PCNA P12004 3/20 0.66
THRA P10827 8/20 0.63
THRB P10828 8/20 0.63
POLB P06746 1/20 0.63
MAPK1 P28482 1/20 0.63
HIF1A Q16665 1/20 0.63
FFAR1 O14842 8/20 0.61
FFAR4 Q5NUL3 4/20 0.55
ESR1 P03372 1/20 0.49
NR3C1 P04150 1/20 0.49
PGR P06401 1/20 0.49
NR3C2 P08235 1/20 0.49
AR P10275 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49
RXRA P19793 1/20 0.49
PPARG P37231 1/20 0.49

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
SCHEMBL4269700 0.92 FFAR1 (0.70) PCNATHRATHRBPOLBMAPK1
SCHEMBL2871768 0.88 FFAR1 (0.73) PCNATHRATHRBPOLBMAPK1
SCHEMBL4280680 0.82 FFAR1 (0.60) PCNATHRATHRBPOLBMAPK1
SCHEMBL4271148 0.82 THRA (0.57) PCNATHRATHRBPOLBMAPK1
SCHEMBL4238467 0.81 THRB (0.73) PCNATHRATHRBPOLBMAPK1
SCHEMBL16425259 0.81 PCNA (0.68) PCNATHRATHRBPOLBMAPK1
SCHEMBL6731598 0.80 THRA (0.56) PCNATHRATHRBPOLBMAPK1
SCHEMBL7042106 0.80 FFAR1 (0.54) PCNATHRATHRBMAPK1FFAR1
SCHEMBL4266556 0.80 FFAR1 (0.63) PCNATHRATHRBPOLBMAPK1
3,5-Diiodothyropropionic Acid SCHEMBL1501771 0.80 PCNA (1.00) PCNATHRATHRBPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161351-A1 Linked biaryl compounds TULARIK INC. 2008-07-03 US claimed
US-20030149108-A1 Linked biaryl compounds TULARIK INC. 2003-08-07 US claimed
US-7645779-B2 Linked biaryl compounds AMGEN INC. (US) 2010-01-12 US disclosed
US-20080161351-A1 Linked biaryl compounds TULARIK INC. 2008-07-03 US disclosed
EP-1435946-A4 LINKED BIARYL COMPOUNDS TULARIK INC (US) 2006-02-01 EP disclosed
US-6869975-B2 Linked biaryl compounds TULARIK INC. (US) 2005-03-22 US disclosed
EP-1435946-A2 LINKED BIARYL COMPOUNDS Tularik Inc. (US) 2004-07-14 EP disclosed
US-20030149108-A1 Linked biaryl compounds TULARIK INC. 2003-08-07 US disclosed
WO-2003024395-A2 LINKED BIARYL COMPOUNDS TULARIK INC. (US) 2003-03-27 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 (2 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-20030149108-A1 Linked biaryl compounds SREBF2, SREBF1, ACACB PCNA 272/4885THRA 3174/4885THRB 1497/4885
US-20080161351-A1 Linked biaryl compounds SREBF2, SREBF1, ACACB PCNA 272/4885THRA 3174/4885THRB 1497/4885

“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.