SCHEMBL4383790

SCHEMBL4383790

C=CCOc1cc(OCC=C)c(C(=O)O)cc1CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
GAA P10253 1/20 0.56
TP53 P04637 1/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.43
FLT3 P36888 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LIG1 P18858 1/20 0.40
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 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
SCHEMBL8168167 0.85 TSHR (0.68) TSHRGAATP53KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8164468 0.83 TSHR (0.66) TSHRGAATP53KDM4EALDH1A1
SCHEMBL14029792 0.83 TSHR (0.49) TSHRGAATP53KDM4EALDH1A1
SCHEMBL27601107 0.79 TSHR (0.57) TSHRGAATP53KDM4EALDH1A1
SCHEMBL20677871 0.79 GAA (0.66) TSHRGAATP53KDM4EHPGD
SCHEMBL1019275 0.79 TSHR (0.54) TSHRGAATP53KDM4EHPGD
SCHEMBL19339316 0.79 PTPN11 (0.50) TSHRTP53HSD17B10
SCHEMBL8998797 0.77 KDM4E (0.49) TSHRGAAKDM4EALDH1A1HPGD
SCHEMBL18614861 0.76 GAA (0.70) TSHRGAATP53KDM4EALDH1A1
SCHEMBL11806832 0.76 GAA (0.61) TSHRGAATP53KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P TSHR 487/4885GAA 3950/4885TP53 918/4885

“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.