SCHEMBL5372841

SCHEMBL5372841

COc1cc(C)c(C=O)c(OC)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
RECQL P46063 1/20 0.50
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ERN1 O75460 4/20 0.38
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRD9 Q9H8M2 1/20 0.35
BRD7 Q9NPI1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 3/20 0.35
KMT2A Q03164 1/20 0.35
NNMT P40261 1/20 0.34
PDE2A O00408 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.32
AKR1B1 P15121 1/20 0.32

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
SCHEMBL2674287 0.85 CYP1A2 (0.44) POLBRECQLLMNASMN1; SMN2ERN1
SCHEMBL9820074 0.81 ERN1 (0.43) POLBRECQLLMNASMN1; SMN2ERN1
SCHEMBL25272811 0.80 ALDH1A1 (0.36) POLBRECQLLMNASMN1; SMN2ERN1
SCHEMBL615179 0.79 POLB (0.32) POLBRECQLERN1CYP1A2CYP2C9
SCHEMBL12446383 0.78 RECQL (0.58) POLBRECQLLMNASMN1; SMN2TDP1
SCHEMBL6342720 0.71 PKM (0.34) ERN1
SCHEMBL10048729 0.70 CYP2C9 (0.36) POLBERN1TDP1KDM4EALDH1A1
SCHEMBL19330363 0.70 ERN1 (0.43) POLBRECQLLMNASMN1; SMN2ERN1
SCHEMBL19353921 0.69 ERN1 (0.56) POLBERN1
SCHEMBL16806287 0.68 IGF1R (0.32) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271153-B2 Treating diseases associated with hyperglycemia such as diabetes; SGLT2 (sodium/glucose cotransporter 2) inhibitor; 3-(4-Ethylbenzyl)-2-(beta-D-glucopyranosyloxy)-4,6-dimethyl-pyridine for example KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-09-18 US disclosed
US-20050049203-A1 Nitrogenous heterocyclic derivative, medicinal composition containing the same, medical use thereof, and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-03-03 US disclosed
EP-1405859-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATE THEREFOR Kissei Pharmaceutical Co., Ltd. (JP) 2004-04-07 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-20050049203-A1 Nitrogenous heterocyclic derivative, medicinal composition containing the same, medical use thereof, and intermediate therefor GPR119, NPR3, SLC5A2 POLB 3441/4885RECQL 3534/4885LMNA 2564/4885

“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.