SCHEMBL16683403

SCHEMBL16683403

CC(=O)C(C(C)=O)C(C[N+](=O)[O-])c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.53
ALDH1A1 P00352 5/20 0.46
CYP2C19 P33261 2/20 0.46
LMNA P02545 2/20 0.44
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NSD2 O96028 1/20 0.38
GAA P10253 1/20 0.38
CNR1 P21554 1/20 0.38
HTT P42858 1/20 0.37
POLB P06746 2/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
FBP1 P09467 1/20 0.36

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
SCHEMBL4120421 1.00 BRD4 (0.53) BRD4ALDH1A1CYP2C19LMNAMAPT
SCHEMBL12283747 0.88 ALDH1A1 (0.45) BRD4ALDH1A1CYP2C19LMNAMAPT
SCHEMBL4360495 0.86 CYP2C19 (0.46) BRD4ALDH1A1CYP2C19LMNAMAPT
SCHEMBL4360490 0.86 CYP2C19 (0.46) BRD4ALDH1A1CYP2C19LMNAMAPT
SCHEMBL16683401 0.86 ALDH1A1 (0.47) BRD4ALDH1A1CYP2C19LMNAMAPT
SCHEMBL4126175 0.86 ALDH1A1 (0.47) BRD4ALDH1A1CYP2C19LMNAMAPT
SCHEMBL16683404 0.84 ALDH1A1 (0.46) BRD4ALDH1A1CYP2C19LMNAMAPT
SCHEMBL16683402 0.84 ALDH1A1 (0.46) ALDH1A1CYP2C19LMNAMAPTKMT2A
SCHEMBL4119806 0.84 ALDH1A1 (0.46) BRD4ALDH1A1CYP2C19LMNAMAPT
SCHEMBL4111632 0.84 CPA1 (0.45) ALDH1A1CYP2C19LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9035075-B1 Catalyst for organic reaction and method of use thereof Research & Business Foundation Sungkyunkwan University (KR) 2015-05-19 US disclosed
US-9035075-B1 Catalyst for organic reaction and method of use thereof Research & Business Foundation Sungkyunkwan University (KR) 2015-05-19 US disclosed
US-20150119583-A1 CATALYST FOR ORGANIC REACTION AND METHOD OF USE THEREOF Research & Business Foundation Sungkyunkwan University (KR) 2015-04-30 US disclosed
US-20150119583-A1 CATALYST FOR ORGANIC REACTION AND METHOD OF USE THEREOF Research & Business Foundation Sungkyunkwan University (KR) 2015-04-30 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 (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-20150119583-A1 CATALYST FOR ORGANIC REACTION AND METHOD OF USE THEREOF SCO2, OGDH, AOC2 BRD4 2812/4885ALDH1A1 2622/4885CYP2C19 269/4885

“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.