SCHEMBL5243236

SCHEMBL5243236

COc1cc(Br)c(OC)c(C(=O)O)c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.73
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
TPMT P51580 1/20 0.51
GPR35 Q9HC97 1/20 0.51
KDM4E B2RXH2 4/20 0.49
HPGD P15428 4/20 0.49
ALDH1A1 P00352 3/20 0.49
CDC25B P30305 1/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.42
APOBEC3A P31941 1/20 0.42
HTT P42858 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL7813490 0.85 HSD17B10 (1.00) HSD17B10LCKFYNTPMTGPR35
SCHEMBL5243855 0.83 TSHR (0.53) HSD17B10TPMTKDM4EHPGDALDH1A1
SCHEMBL30745030 0.83 HSD17B10 (0.51) HSD17B10TPMTKDM4EHPGDALDH1A1
SCHEMBL7813116 0.83 HSD17B10 (0.71) HSD17B10LCKFYNTPMTGPR35
SCHEMBL5240714 0.83 HSD17B10 (0.51) HSD17B10TPMTKDM4EHPGDALDH1A1
SCHEMBL2970067 0.82 HSD17B10 (0.70) HSD17B10LCKFYNTPMTGPR35
SCHEMBL15989607 0.82 LCK (0.52) HSD17B10LCKFYNKDM4EHPGD
SCHEMBL30810187 0.81 HSD17B10 (0.69) HSD17B10LCKFYNTPMTGPR35
SCHEMBL30810298 0.81 HSD17B10 (0.69) HSD17B10LCKFYNTPMTGPR35
SCHEMBL9279881 0.81 HSD17B10 (0.69) HSD17B10LCKFYNTPMTGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102850364-B Indian apple derivative and composition thereof, preparation method and application SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2016-05-25 CN disclosed
CN-1993343-A Tetracyclic compounds as estrogen ligands WYETH CORP (US) 2007-07-04 CN disclosed
EP-1761513-A1 TETRACYCLIC COMPOUNDS AS ESTROGEN LIGANDS Wyeth (US) 2007-03-14 EP disclosed
WO-2006007503-A1 TETRACYCLIC COMPOUNDS AS ESTROGEN LIGANDS WYETH (US) 2006-01-19 WO disclosed
US-20060004087-A1 Tetracyclic compounds as estrogen ligands WYETH (US) 2006-01-05 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-20060004087-A1 Tetracyclic compounds as estrogen ligands ESR1, ESRRA, ESR2 HSD17B10 2108/4885LCK 2235/4885FYN 2609/4885

“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.