SCHEMBL2664797

SCHEMBL2664797

CCc1cc2c(OC(C)=O)cc(C=O)cc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
GLA P06280 5/20 0.42
GAA P10253 5/20 0.42
MAPT P10636 3/20 0.42
CASP1 P29466 3/20 0.42
CASP7 P55210 3/20 0.42
HSD17B10 Q99714 3/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
ALPG P10696 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC22A12 Q96S37 4/20 0.40
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL12096110 0.80 KDM4E (0.45) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL643502 0.76 KDM4E (0.43) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL10287759 0.74 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2SLC22A12KMT2A
SCHEMBL2664880 0.72 SLC6A4 (0.40) SLC22A12
SCHEMBL2939004 0.69 FNTA (0.55) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL16325280 0.69 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL27429047 0.68 FNTA (0.47) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL26323911 0.66 AKR1B1 (0.47) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL26323917 0.65 ALDH1A1 (0.41) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL31190039 0.65 JUN (0.57) ALDH1A1KDM4EGAAMAPTHPGD

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-8119624-B2 Fused phenyl amido heterocyclic compounds PFIZER INC. (US) 2012-02-21 US disclosed
US-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds PFIZER INC 2011-02-17 US disclosed
US-7842713-B2 Fused phenyl amido heterocyclic compounds PFIZER INC (US) 2010-11-30 US disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 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 (2 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-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds GCK, GCKR, HK1 ALDH1A1 1370/4885KDM4E 1790/4885GLA 394/4885
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS GCK, GCKR, HK1 ALDH1A1 1370/4885KDM4E 1790/4885GLA 394/4885

“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.