SCHEMBL1151112

SCHEMBL1151112

O=C(O)C=CC1CCCCC1.O=C(O)C=CC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
TSHR P16473 2/20 0.38
TP53 P04637 2/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
MEN1 O00255 1/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NLRP1 Q9C000 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL17263955 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL221714 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL11845850 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL9063561 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL4599663 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL23749603 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL1151110 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL9743609 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL15290579 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1
SCHEMBL9133112 1.00 HTT (0.47) HTTSMN1; SMN2NPC1GAAGRIN1

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-20110028746-A1 METHOD FOR THE DECARBOXYLATIVE HYDROFORMYLATION OF ALPHA, BETA- UNSATURATED CARBOXYLIC ACIDS BASF SE (DE) 2011-02-03 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-20110028746-A1 METHOD FOR THE DECARBOXYLATIVE HYDROFORMYLATION OF ALPHA, BETA- UNSATURATED CARBOXYLIC ACIDS PCCA, CBR3, CBR1 HTT 1916/4885SMN1; SMN2 1721/4885NPC1 3310/4885

“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.