SCHEMBL16683402

SCHEMBL16683402

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 2/20 0.44
SERPINH1 P50454 1/20 0.43
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CNR1 P21554 4/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
FBP1 P09467 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL4126175 0.86 ALDH1A1 (0.47) ALDH1A1CYP2C19LMNAMEN1KMT2A
SCHEMBL16683401 0.86 ALDH1A1 (0.47) ALDH1A1CYP2C19LMNAMEN1KMT2A
SCHEMBL28732491 0.86 ALDH1A1 (0.44) ALDH1A1CYP2C19LMNASERPINH1MEN1
SCHEMBL16683404 0.84 ALDH1A1 (0.46) ALDH1A1CYP2C19LMNAMEN1POLB
SCHEMBL16683403 0.84 BRD4 (0.53) ALDH1A1CYP2C19LMNAMEN1POLB
SCHEMBL4120421 0.84 BRD4 (0.53) ALDH1A1CYP2C19LMNAMEN1POLB
SCHEMBL4119806 0.84 ALDH1A1 (0.46) ALDH1A1CYP2C19LMNAMEN1POLB
SCHEMBL2628014 0.84 CPA1 (0.45) ALDH1A1CYP2C19LMNAMEN1POLB
SCHEMBL4111632 0.84 CPA1 (0.45) ALDH1A1CYP2C19LMNAMEN1POLB
SCHEMBL4865124 0.84 ALDH1A1 (0.66) ALDH1A1CYP2C19LMNASERPINH1MEN1

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 ALDH1A1 2622/4885CYP2C19 269/4885LMNA 1954/4885

“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.