SCHEMBL4944808

SCHEMBL4944808

COc1ccc(-c2cc(C)c(CC(=O)O)cc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
MMP2 P08253 3/20 0.48
MMP12 P39900 3/20 0.48
MMP9 P14780 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MMP8 P22894 2/20 0.47
MMP13 P45452 2/20 0.47
MMP14 P50281 2/20 0.47
MMP16 P51512 2/20 0.47
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
KDM4E B2RXH2 5/20 0.45
BACE1 P56817 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
PTGS1 P23219 1/20 0.44
AKR1C3 P42330 1/20 0.44

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
SCHEMBL4935775 0.83 HSD17B1 (0.47) HSD17B10RXRARXRBRXRGALDH1A1
SCHEMBL3738351 0.80 HSD17B10 (0.64) HSD17B10MMP2MMP12MMP9SMN1; SMN2
SCHEMBL4664847 0.78 HSD17B10 (0.65) HSD17B10MMP2MMP12MMP8MMP13
SCHEMBL4216332 0.77 MMP2 (0.62) HSD17B10MMP2MMP12MMP9SMN1; SMN2
SCHEMBL4941492 0.77 MMP2 (0.58) HSD17B10MMP2MMP12MMP9SMN1; SMN2
SCHEMBL11395080 0.77 PTGS1 (0.52) HSD17B10ALDH1A1PTGS1
SCHEMBL3735319 0.77 HSD17B10 (0.59) HSD17B10MMP2MMP12MMP9SMN1; SMN2
SCHEMBL2352721 0.76 SUCNR1 (0.54) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL3749551 0.75 HSD17B10 (0.54) HSD17B10MMP2MMP12MMP9SMN1; SMN2
SCHEMBL15703754 0.75 MEN1 (0.55) HSD17B10MMP2MMP12MMP9SMN1; SMN2

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-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 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-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 HSD17B10 373/4885MMP2 4839/4885MMP12 2945/4885

“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.