SCHEMBL6843230

SCHEMBL6843230

O=[C]CC(C(=O)c1ccc(-c2ccc(Cl)cc2)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 1/20 0.52
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
CYP27B1 O15528 2/20 0.42
CYP24A1 Q07973 2/20 0.42
MDM2 Q00987 1/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
MMP2 P08253 3/20 0.40
MMP3 P08254 3/20 0.40
MMP9 P14780 3/20 0.40
MMP13 P45452 2/20 0.40
MMP1 P03956 1/20 0.40
MMP8 P22894 1/20 0.40
UTS2R Q9UKP6 4/20 0.40
RECQL P46063 1/20 0.40
PDPK1 O15530 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL11630236 0.85 LMNA (0.55) NTSR1LMNAHSD17B10KDM4EMDM2
SCHEMBL30466138 0.77 NTSR1 (0.58) NTSR1LMNAHSD17B10KDM4EGAA
SCHEMBL6203634 0.76 NTSR1 (0.57) NTSR1LMNAHSD17B10KDM4EGAA
SCHEMBL11733684 0.75 NTSR1 (0.56) NTSR1LMNAHSD17B10KDM4EGAA
SCHEMBL11520271 0.75 POLB (0.60) NTSR1LMNAHSD17B10KDM4EGAA
SCHEMBL11733805 0.75 POLB (0.60) NTSR1LMNAHSD17B10KDM4EGAA
SCHEMBL11484209 0.74 CES2 (0.59) LMNAKDM4EMDM2CES2CES1
SCHEMBL11484197 0.74 CES2 (0.59) LMNAKDM4EMDM2CES2CES1
SCHEMBL142538 0.73 CES2 (0.74) NTSR1LMNAKDM4EGAACES2
SCHEMBL29989494 0.73 CES2 (0.74) NTSR1LMNAKDM4EGAACES2

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-20040176393-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2004-09-09 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-20040176393-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 NTSR1 4111/4885LMNA 1874/4885HSD17B10 124/4885

“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.