SCHEMBL12935809

SCHEMBL12935809

C=CCC(CCO)(C(C)=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.48
PKM P14618 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
CACNA1B Q00975 1/20 0.44
NR4A2 P43354 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
TSHR P16473 2/20 0.42
MAOA P21397 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A3 Q92570 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SMPD1 P17405 1/20 0.41

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
SCHEMBL13044182 0.89 CACNA1B (0.45) MAOBPKMALDH1A1KDM4ECYP4F2
SCHEMBL12935807 0.85 SPHK2 (0.44) MAOBPKMALDH1A1KDM4ECYP4F2
SCHEMBL9079276 0.81 ALOX5 (0.47) MAOBMRGPRX4
SCHEMBL5475919 0.72 CYP4F2 (0.54) MAOBPKMALDH1A1KDM4ECYP4F2
SCHEMBL12964019 0.72 HPGD (0.47) ALDH1A1KDM4ECACNA1BSMN1; SMN2
SCHEMBL9577512 0.71 CYP4F2 (0.56) MAOBPKMALDH1A1KDM4ECYP4F2
SCHEMBL6036145 0.71 PKM (0.60) MAOBPKMALDH1A1KDM4ECYP4F2
SCHEMBL11157650 0.71 MAOB (0.54) MAOBPKMALDH1A1KDM4ECYP4F2
Formaldehyde SCHEMBL27492762 0.70 NR4A2 (0.58) MAOBPKMCYP4F2CYP4A11CACNA1B
SCHEMBL7142415 0.70 PKM (0.58) MAOBPKMALDH1A1KDM4ECYP4F2

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-20120270847-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIATES AND USES THEREOF SHIRE LLC (US) 2012-10-25 US disclosed
US-20110015182-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC 2011-01-20 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-20110015182-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF OPRL1, OPRM1, DNPEP MAOB 1187/4885PKM 3374/4885ALDH1A1 2705/4885
US-20120270847-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIATES AND USES THEREOF OPRL1, OPRM1, DNPEP MAOB 1278/4885PKM 3521/4885ALDH1A1 2945/4885

“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.