SCHEMBL13612671

SCHEMBL13612671

C=Cc1ccc(C(=O)NCC(CC)CCCC)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
TAS1R3 Q7RTX0 2/20 0.56
TAS1R1 Q7RTX1 2/20 0.56
HTT P42858 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GLA P06280 1/20 0.53
LMNA P02545 3/20 0.53
MAP4K1 Q92918 1/20 0.50
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7029216 0.83 TSHR (0.58) TSHRHTTL3MBTL1GLALMNA
SCHEMBL11507133 0.82 TSHR (0.60) TSHRHTTL3MBTL1GLALMNA
SCHEMBL22373757 0.82 TSHR (0.63) TSHRHTTL3MBTL1GLALMNA
SCHEMBL18884969 0.81 LMNA (0.50) TSHRTAS1R3TAS1R1HTTL3MBTL1
SCHEMBL11300484 0.80 TSHR (0.64) TSHRHTTL3MBTL1GLALMNA
SCHEMBL3221297 0.80 TSHR (0.57) TSHRHTTL3MBTL1GLALMNA
SCHEMBL29038563 0.80 TSHR (0.60) TSHRHTTL3MBTL1GLALMNA
SCHEMBL13789638 0.79 TSHR (0.57) TSHRHTTL3MBTL1GLALMNA
SCHEMBL13752877 0.77 TSHR (0.55) TSHRHTTL3MBTL1GLALMNA
SCHEMBL16613797 0.76 TSHR (0.57) TSHRHTTL3MBTL1GLALMNA

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-20090274853-A1 DICHROIC DYE COMPOSITION FUJIFILM CORPORATION (JP) 2009-11-05 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-20090274853-A1 DICHROIC DYE COMPOSITION C1S, CDY1; CDY1B, CRY1 TSHR 2259/4885TAS1R3 2213/4885TAS1R1 1142/4885

“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.