SCHEMBL7067738

SCHEMBL7067738

CCCCCCOc1cnc(C(=O)OC)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.44
SIRT6 Q8N6T7 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 4/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NFKB1 P19838 3/20 0.39
NFKB2 Q00653 3/20 0.39
RELA Q04206 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PLA2G2A P14555 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 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
SCHEMBL6818128 0.88 ALDH1A1 (0.50) MAPK1LMNATSHRALDH1A1MAPT
SCHEMBL6819314 0.84 TSHR (0.47) SMPD1SIRT6LMNATSHRALDH1A1
SCHEMBL10329867 0.82 MAPK1 (0.47) SIRT6MAPK1LMNAALDH1A1MAPT
SCHEMBL2107109 0.81 MAPK1 (0.44) SIRT6MAPK1ALDH1A1KDM4EPOLB
SCHEMBL28723780 0.81 MAPK1 (0.39) SIRT6MAPK1LMNAALDH1A1KDM4E
SCHEMBL24214118 0.79 GABRA1 (0.40) SIRT6MAPK1LMNA
SCHEMBL991518 0.78 MAPK1 (0.46) SIRT6MAPK1LMNAALDH1A1MAPT
SCHEMBL12248211 0.77 MAPK1 (0.42) SIRT6MAPK1LMNATSHRALDH1A1
SCHEMBL13524601 0.77 SIRT6 (0.67) SIRT6MAPK1LMNAALDH1A1MAPT
SCHEMBL3726906 0.76 ALDH1A1 (0.46) SIRT6LMNATSHRALDH1A1MAPT

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 SMPD1 2903/4885SIRT6 1270/4885MAPK1 2575/4885

“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.