SCHEMBL221654

SCHEMBL221654

Cc1ccc(C(=O)C(C(=O)c2ccc(C)cc2)[C@H](C[N+](=O)[O-])c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
LMNA P02545 4/20 0.41
CYP2C19 P33261 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 3/20 0.41
CYP3A4 P08684 2/20 0.41
CNR1 P21554 1/20 0.41
CYP1A2 P05177 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
SCHEMBL221212 0.94 LMNA (0.43) GAANPC1RAB9ANFKB1NFKB2
SCHEMBL221213 0.94 LMNA (0.43) GAANPC1RAB9ANFKB1NFKB2
SCHEMBL221352 0.90 TDP1 (0.47) NPC1RAB9ASMN1; SMN2NPSR1CES2
SCHEMBL221353 0.90 TDP1 (0.47) NPC1RAB9ASMN1; SMN2NPSR1CES2
SCHEMBL6249908 0.84 CPA1 (0.46) NPC1SMN1; SMN2NPSR1CES2CES1
SCHEMBL22831457 0.82 ALDH1A1 (0.47) GAASMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL4908931 0.81 ALDH1A1 (0.56) KMT2ALMNACYP2C19HTTCYP3A4
SCHEMBL4111632 0.80 CPA1 (0.45) GAANPC1MEN1KMT2ANPSR1
SCHEMBL2760486 0.80 LMNA (0.51) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2628014 0.80 CPA1 (0.45) GAANPC1MEN1KMT2ANPSR1

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 GAA 1903/4885NPC1 2334/4885RAB9A 925/4885

“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.