SCHEMBL3766211

SCHEMBL3766211

COc1ccc(N2C(=O)NC(=O)/C(=C/C/C=C/c3ccccc3)C2=O)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.46
KMT2A Q03164 10/20 0.46
MEN1 O00255 9/20 0.46
POLB P06746 5/20 0.46
MAPT P10636 13/20 0.45
ALDH1A1 P00352 11/20 0.45
HPGD P15428 4/20 0.45
GAA P10253 1/20 0.44
KDM4E B2RXH2 7/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
ERO1A Q96HE7 1/20 0.43
BLM P54132 3/20 0.43
LMNA P02545 3/20 0.43
HSP90AA1 P07900 2/20 0.43
THRB P10828 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A1 P04798 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
SCHEMBL3766218 1.00 GPR55 (0.46) GPR55KMT2AMEN1POLBMAPT
SCHEMBL15347315 0.73 MAPT (0.65) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL15347317 0.73 MAPT (0.65) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL12218053 0.73 MAPT (0.65) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL3762869 0.70 MAPT (0.61) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL3762870 0.70 MAPT (0.61) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL13479532 0.68 MEN1 (0.77) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL11808285 0.67 ESR1 (0.72) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL30019853 0.65 KDM1A (0.61) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL30020205 0.65 KDM1A (0.61) KMT2AMEN1POLBMAPTALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 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-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 GPR55 958/4885KMT2A 3767/4885MEN1 3665/4885
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 GPR55 958/4885KMT2A 3767/4885MEN1 3665/4885

“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.