SCHEMBL7073535

SCHEMBL7073535

CCOC(=O)CCC1Cc2cc(O)ccc2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.40
P2RX3 P56373 1/20 0.39
GAA P10253 4/20 0.38
HSD17B10 Q99714 4/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
GLA P06280 3/20 0.38
HPGD P15428 3/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
NR1I2 O75469 1/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7076204 0.91 BRD4 (0.39) HSD17B1P2RX3GAAHSD17B10KDM4E
SCHEMBL7073283 0.89 HSD17B1 (0.47) HSD17B1GAAHSD17B10KDM4EALDH1A1
SCHEMBL7078710 0.86 PDE3B (0.42) GAAHPGDTSHRKMT2AMAPT
SCHEMBL7076747 0.80 HSD17B1 (0.45) HSD17B1GAAHSD17B10ALDH1A1TSHR
SCHEMBL6526999 0.78 PDE3B (0.35) P2RX3GAAHSD17B10KDM4EALDH1A1
SCHEMBL29466624 0.77 TSHR (0.46) HSD17B10KDM4EALDH1A1TSHRMAPT
SCHEMBL1018625 0.76 TSHR (0.43) HSD17B1GAAHSD17B10KDM4EALDH1A1
SCHEMBL19055480 0.76 CYP1A2 (0.43) HSD17B1GAAHSD17B10ALDH1A1TSHR
SCHEMBL14062161 0.74 CYP26A1 (0.55) HSD17B1BRD4
SCHEMBL1016536 0.73 MAPT (0.43) GAAHSD17B10KDM4EALDH1A1TSHR

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-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

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 HSD17B1 2940/4885P2RX3 920/4885GAA 2157/4885

“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.