SCHEMBL9908164

SCHEMBL9908164

CCCc1cc(-c2ccc[nH]2)[nH]c1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
KDM4E B2RXH2 3/20 0.35
GAA P10253 3/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PADI4 Q9UM07 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9909366 0.87 HPGD (0.38) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL13922083 0.79 KDM4E (0.37) KDM4EGAAMAPTALDH1A1LMNA
SCHEMBL13922082 0.79 GAA (0.40) MEN1KMT2AL3MBTL1KDM4EGAA
SCHEMBL13922073 0.78 TUBB4A (0.43) MEN1KMT2APPARGKDM4EGAA
SCHEMBL7575243 0.68 ALDH1A1 (0.40) MEN1KMT2AKDM4EGAAPOLB
SCHEMBL7574291 0.68 MAPT (0.43) KDM4EGAAMAPTALDH1A1LMNA
SCHEMBL5785177 0.65 CNR1 (0.43) GAALMNAHTTSMN1; SMN2NR4A2
SCHEMBL6777545 0.64 HDAC1 (0.47) ATMKDM4EGAAMAPTALDH1A1
SCHEMBL31330091 0.64 CNR2 (0.42) KMT2AL3MBTL1KDM4EGAAMAPT
SCHEMBL24727844 0.63 HDAC1 (0.63) L3MBTL1KDM4EMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8197758-B2 Bodipy fluorophore dyes useful in the labeling and identification of proteins; highly soluble MONTANA STATE UNIVERSITY (US) 2012-06-12 US disclosed
US-20100036133-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2010-02-11 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-20100036133-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES CHAMP1, ANXA5, ANXA3 MEN1 2009/4885KMT2A 2653/4885L3MBTL1 1344/4885

“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.