SCHEMBL18177927

SCHEMBL18177927

O=CO/C=C/C=C\C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
TP53 P04637 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
PPARA Q07869 1/20 0.35
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
HCAR2 Q8TDS4 3/20 0.33
GABRR1 P24046 2/20 0.33
GABRR2 P28476 2/20 0.33
BLM P54132 2/20 0.33
GABRR3 A8MPY1 1/20 0.33
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MASP2 O00187 1/20 0.31
F2 P00734 1/20 0.31

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
SCHEMBL18177926 1.00 TSHR (0.38) TSHRTP53EGLN1EGLN3PPARA
SCHEMBL12311768 1.00 TSHR (0.38) TSHRTP53EGLN1EGLN3PPARA
SCHEMBL14305831 0.81
SCHEMBL799767 0.81
SCHEMBL1641546 0.81
SCHEMBL4109806 0.78
SCHEMBL351491 0.74 TSHR (0.67) TSHRTP53EGLN1EGLN3PPARA
SCHEMBL509417 0.74 TSHR (0.67) TSHRTP53EGLN1EGLN3PPARA
SCHEMBL820982 0.74 TSHR (0.67) TSHRTP53EGLN1EGLN3PPARA
SCHEMBL2726 0.74 TSHR (0.67) TSHRTP53EGLN1EGLN3PPARA

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-20160347908-A1 PROCESS FOR PRODUCING NYLON-6,6 BASF SE (DE) 2016-12-01 US disclosed
US-20160326092-A1 METHOD FOR PRODUCING HEXAMETHYLENEDIAMINE BASF SE (DE) 2016-11-10 US disclosed
US-20160311739-A1 METHOD FOR PREPARING 1,6-HEXANEDIOL BASF SE (DE) 2016-10-27 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 (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-20160326092-A1 METHOD FOR PRODUCING HEXAMETHYLENEDIAMINE MUC1, HEXD, HEXA TSHR 3756/4885TP53 3709/4885EGLN1 1547/4885
US-20160311739-A1 METHOD FOR PREPARING 1,6-HEXANEDIOL MUC1, HEXD, HPD TSHR 4434/4885TP53 3079/4885EGLN1 1704/4885

“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.