SCHEMBL4454095

SCHEMBL4454095

C=C(c1ccc(C=O)cc1)c1ccc(CCCC)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.55
THRB P10828 8/20 0.55
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RARB P10826 2/20 0.49
PLK1 P53350 1/20 0.49
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PLA2G1B P04054 4/20 0.44
ATG4B Q9Y4P1 4/20 0.44
TRPV1 Q8NER1 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43

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
SCHEMBL219423 0.86 ALDH1A1 (0.52) THRATHRBRARBPLK1ALDH1A1
SCHEMBL9806331 0.86 THRA (0.59) THRATHRBMEN1KMT2ARARB
SCHEMBL4454097 0.81 ALDH1A1 (0.47) THRATHRBRARBPLK1ALDH1A1
SCHEMBL416529 0.81 RARB (0.56) THRATHRBMEN1KMT2ARARB
SCHEMBL847304 0.81 ALDH1A1 (0.53) THRATHRBMEN1KMT2ARARB
SCHEMBL6546856 0.80 TRPV1 (0.55) THRATHRBMEN1KMT2ARARB
SCHEMBL9026740 0.79 ESR1 (0.57) THRATHRBMEN1KMT2AALDH1A1
SCHEMBL1884477 0.79 ESR1 (0.57) THRATHRBMEN1KMT2AALDH1A1
SCHEMBL20594193 0.79 ESR1 (0.57) THRATHRBMEN1KMT2AALDH1A1
SCHEMBL6067892 0.79 ESR1 (0.57) THRATHRBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 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-20070105913-A1 Alkynyl aryl carboxamides ECHS1, IRS1, HCCS THRA 1634/4885THRB 1963/4885MEN1 3874/4885

“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.