SCHEMBL220113

SCHEMBL220113

O=C(c1ccccc1)C(C(=O)c1ccccc1)[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NSD2 O96028 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C19 P33261 2/20 0.40
ATM Q13315 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
CPA1 P15085 3/20 0.40
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL220114 1.00 CNR1 (0.43) CNR1ALDH1A1MAPTGAALMNA
SCHEMBL221353 0.90 TDP1 (0.47) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL221352 0.90 TDP1 (0.47) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL221212 0.86 LMNA (0.43) CNR1ALDH1A1MAPTGAALMNA
SCHEMBL221213 0.86 LMNA (0.43) CNR1ALDH1A1MAPTGAALMNA
SCHEMBL221508 0.86 LMNA (0.43) ALDH1A1MAPTGAALMNAHPGD
SCHEMBL221108 0.86 ALDH1A1 (0.53) CNR1ALDH1A1MAPTGAALMNA
SCHEMBL221507 0.86 LMNA (0.43) ALDH1A1MAPTGAALMNAHPGD
SCHEMBL221107 0.86 ALDH1A1 (0.53) CNR1ALDH1A1MAPTGAALMNA
SCHEMBL4360495 0.85 CYP2C19 (0.46) CNR1ALDH1A1MAPTGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940938-B2 Michael reaction with recovery of the catalyst NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-27 US disclosed
US-8940938-B2 Michael reaction with recovery of the catalyst NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-27 US disclosed
US-8940938-B2 Michael reaction with recovery of the catalyst NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-27 US disclosed
US-20120004424-A1 MICHAEL REACTION WITH RECOVERY OF THE CATALYST NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-05 US disclosed
US-20120004424-A1 MICHAEL REACTION WITH RECOVERY OF THE CATALYST NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-05 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-20120004424-A1 MICHAEL REACTION WITH RECOVERY OF THE CATALYST CYP2E1, CYP11B2, CYP11B1 CNR1 1751/4885ALDH1A1 118/4885MAPT 3418/4885

“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.