SCHEMBL6736819

SCHEMBL6736819

CC1CC1Cn1c(=O)oc(=O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PARG Q86W56 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PER2 O15055 2/20 0.34

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
SCHEMBL5259729 0.81 DHFR (0.46) DHFRTSHRUSP2HPGDMAPK1
SCHEMBL6689039 0.78 NPC1 (0.45) DHFRALDH1A1TSHRNPSR1KDM4E
SCHEMBL5260181 0.77 NPC1 (0.50) DHFRALDH1A1NPSR1KDM4E
SCHEMBL6305077 0.77 ALDH1A1 (0.59) L3MBTL1ALDH1A1POLBTSHRUSP2
SCHEMBL6235260 0.76 TSHR (0.63) DHFRALDH1A1POLBTSHRMAPK1
SCHEMBL1716008 0.76 CNR2 (0.48) DHFR
SCHEMBL5263281 0.74 PGR (0.50) ALDH1A1POLBTSHRUSP2HPGD
SCHEMBL6737897 0.74 CNR2 (0.46) DHFRTSHRPARGKDM4EPER2
SCHEMBL8070199 0.73 SMN1; SMN2 (0.53) L3MBTL1ALDH1A1POLBTSHRUSP2
SCHEMBL5309142 0.72 HPGD (0.44) DHFRALDH1A1POLBTSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 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-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 DHFR 963/4885L3MBTL1 3952/4885ALDH1A1 1494/4885

“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.