SCHEMBL7073003

SCHEMBL7073003

COC(=O)CCCc1cc2ccc(OC)cc2[nH]c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 10/20 0.66
KDM4E B2RXH2 10/20 0.66
HPGD P15428 4/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
TSHR P16473 5/20 0.65
MAPT P10636 4/20 0.65
TP53 P04637 1/20 0.65
ALOX15 P16050 1/20 0.65
ALDH1A1 P00352 10/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
CYP1A2 P05177 1/20 0.61
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
KMT2A Q03164 4/20 0.57
LMNA P02545 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
MEN1 O00255 3/20 0.52
HKDC1 Q2TB90 1/20 0.50
PKM P14618 1/20 0.49

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
SCHEMBL7075514 0.93 HSD17B10 (0.68) HSD17B10KDM4EHPGDL3MBTL1TSHR
SCHEMBL7073150 0.85 KDM4E (0.63) HSD17B10KDM4EHPGDL3MBTL1TSHR
SCHEMBL7075681 0.79 HSD17B10 (0.53) HSD17B10KDM4EHPGDL3MBTL1TSHR
SCHEMBL7071520 0.79 KDM4E (0.51) HSD17B10KDM4EHPGDL3MBTL1TSHR
SCHEMBL4659631 0.78 KDM4E (0.61) HSD17B10KDM4EHPGDL3MBTL1TSHR
SCHEMBL7073545 0.74 HSD17B10 (0.52) HSD17B10KDM4EHPGDL3MBTL1TSHR
SCHEMBL3846232 0.74 KDM4E (0.56) HSD17B10KDM4EHPGDL3MBTL1TSHR
Trifluoroacetic Acid SCHEMBL30355136 0.74 KDM4E (0.58) HSD17B10KDM4EHPGDL3MBTL1TSHR
SCHEMBL5459219 0.73 KDM4E (0.58) HSD17B10KDM4EHPGDL3MBTL1TSHR
SCHEMBL7071729 0.73 HSD17B10 (0.54) HSD17B10KDM4EHPGDL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin WYETH (US) 2003-06-12 US disclosed
US-6429214-B1 INHIBITORS OF BONE RESORPTION WYETH 2002-08-06 US disclosed
EP-1198231-A1 BICYCLIC ANTAGONISTS SELECTIVE FOR THE(ALPHA)V(BETA)3 INTEGRIN AMERICAN HOME PRODUCTS CORPORATION (US) 2002-04-24 EP disclosed
WO-2001007036-A1 BICYCLIC ANTAGONISTS SELECTIVE FOR THE αvβ3 INTEGRIN AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-01 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-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin ITGAV, ITGB2, ITGB3 HSD17B10 3835/4885KDM4E 560/4885HPGD 4097/4885

“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.