SCHEMBL2126901

SCHEMBL2126901

CCOc1ccc(CC(=O)Br)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.54
PARP10 Q53GL7 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
HPGD P15428 2/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NLRP3 Q96P20 1/20 0.49
CNR2 P34972 1/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 2/20 0.49
PLK1 P53350 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL503308 0.82 PLA2G4B (0.58) NQO1PARP10SMN1; SMN2NPC1RAB9A
SCHEMBL2628188 0.82 POLB (0.59) NQO1PARP10SMN1; SMN2NPC1RAB9A
SCHEMBL10492444 0.81 NQO1 (0.50) NQO1PARP10SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL2528810 0.81 PLA2G4B (0.56) NQO1PARP10SMN1; SMN2NPC1RAB9A
SCHEMBL6709316 0.81 NQO1 (0.54) NQO1PARP10SMN1; SMN2NPC1RAB9A
SCHEMBL2528806 0.81 ALDH1A1 (0.54) NQO1PARP10SMN1; SMN2NPC1RAB9A
SCHEMBL700166 0.81 PARP10 (0.61) NQO1PARP10ALDH1A1KDM4ETDP1
SCHEMBL10884546 0.81 NQO1 (0.54) NQO1PARP10SMN1; SMN2NPC1RAB9A
SCHEMBL27661058 0.80 NQO1 (0.48) NQO1PARP10SMN1; SMN2NPC1RAB9A
SCHEMBL5257976 0.80 HTT (0.63) SMN1; SMN2NPC1ALDH1A1MAPTKDM4E

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
EP-1544196-B1 PROCESS FOR THE PRODUCTION OF GAMMA-KETO ACETALS DAIICHI SANKYO CO LTD (JP) 2012-04-25 EP disclosed
US-7176323-B2 Process for the production of γ-keto acetals SANKYO COMPANY, LIMITED (JP) 2007-02-13 US disclosed
US-20050148780-A1 Process for the production of gamma-keto acetals SANKYO COMPANY, LIMITED (JP) 2005-07-07 US disclosed
EP-1544196-A1 PROCESS FOR THE PRODUCTION OF GAMMA-KETO ACETALS Sankyo Company, Limited (JP) 2005-06-22 EP 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-20050148780-A1 Process for the production of gamma-keto acetals AKR1A1, AKR1D1, AKR1B1 NQO1 711/4885PARP10 1310/4885SMN1; SMN2 4114/4885

“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.