SCHEMBL2833340

SCHEMBL2833340

CCCOc1cc(C(=O)O)c(F)cc1OCC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP3A4 P08684 1/20 0.47
TP53 P04637 3/20 0.47
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
WDR5 P61964 1/20 0.41
FABP4 P15090 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PDE4D Q08499 1/20 0.40
MAPT P10636 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
SCHEMBL70539 0.89 PDE4D (0.47) TSHRHSD17B10TP53LMNARARA
SCHEMBL15878229 0.83 TSHR (0.53) TSHRHSD17B10CYP3A4TP53GAA
SCHEMBL73150 0.82 RARA (0.49) TP53RARARARBKMT2AMEN1
SCHEMBL9701370 0.81 TSHR (0.59) TSHRHSD17B10CYP3A4TP53LMNA
SCHEMBL13579888 0.79 TSHR (0.55) TSHRHSD17B10CYP3A4TP53L3MBTL1
SCHEMBL14316273 0.79 RARB (0.52) TP53RARARARBFABP4
SCHEMBL3540950 0.79 TSHR (0.53) TSHRHSD17B10CYP3A4TP53GAA
SCHEMBL26031210 0.78 TSHR (0.51) TSHRHSD17B10CYP3A4TP53GAA
SCHEMBL4601086 0.77 PTPN11 (0.56) TSHRHSD17B10GAAL3MBTL1RARA
SCHEMBL2583219 0.77 LCK (0.46) TSHRHSD17B10LMNARARARARB

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-20100240677-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2010-09-23 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-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A TSHR 1209/4885HSD17B10 1544/4885CYP3A4 870/4885

“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.