SCHEMBL12746142

SCHEMBL12746142

O=C1CS(=O)(=O)c2ccc(-c3cccc(OCc4ccccc4)c3)cc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.49
MRGPRX4 Q96LA9 2/20 0.46
BRD4 O60885 2/20 0.44
GRM5 P41594 1/20 0.44
NR4A2 P43354 2/20 0.43
HDAC4 P56524 1/20 0.43
NAAA Q02083 1/20 0.43
HPD P32754 1/20 0.43
MAOB P27338 6/20 0.43
MAOA P21397 4/20 0.43
CREBBP Q92793 1/20 0.42
PRKDC P78527 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL12746139 0.80 VEGFA (0.47) HDAC4MAOBMAOAATM
SCHEMBL12745892 0.79 GSTP1 (0.49) GSTP1MRGPRX4BRD4GRM5NR4A2
SCHEMBL379281 0.76 MAOB (0.67) GSTP1MRGPRX4NR4A2MAOBMAOA
SCHEMBL2137838 0.74 MRGPRX4 (0.69) GSTP1MRGPRX4NR4A2HDAC4NAAA
SCHEMBL16346074 0.73 GSTP1 (0.66) GSTP1MRGPRX4NR4A2HDAC4NAAA
SCHEMBL4095412 0.72 MAOA (0.77) GSTP1BRD4HPDMAOBMAOA
SCHEMBL3786472 0.72 MAOB (0.68) GSTP1MRGPRX4NR4A2HDAC4NAAA
SCHEMBL30426715 0.72 MAOB (0.68) GSTP1MRGPRX4NR4A2HDAC4NAAA
SCHEMBL7346174 0.70 MRGPRX4 (0.64) GSTP1MRGPRX4NR4A2HDAC4NAAA
SCHEMBL12746147 0.69 PGR (0.49) MAOB

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-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity NORTHEASTERN UNIVERSITY (US) 2011-03-24 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-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity FAAH, FAAH2, CNR2 GSTP1 2199/4885MRGPRX4 177/4885BRD4 474/4885

“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.