SCHEMBL1219706

SCHEMBL1219706

O=C(O)c1ccccc1C(=O)c1ccc(OC(=O)c2ccccc2C(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.56
CDC25B P30305 2/20 0.54
ATM Q13315 1/20 0.54
NR4A1 P22736 1/20 0.53
LIG1 P18858 1/20 0.51
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
CDC25A P30304 1/20 0.50
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ELANE P08246 3/20 0.46
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL9724319 0.91 HPGD (0.59) HSD17B10HPGDALOX15MEN1LMNA
Phthalic Acid SCHEMBL8765730 0.87 PARP10 (0.57) HSD17B10HPGDALOX15MEN1LMNA
SCHEMBL63564 0.85 AKR1C3 (0.76) AKR1C3CDC25BATMNR4A1LIG1
SCHEMBL29360039 0.85 AKR1C3 (0.76) AKR1C3CDC25BATMNR4A1LIG1
SCHEMBL9724321 0.83 KMT2A (0.63) HSD17B10HPGDALOX15MEN1LMNA
SCHEMBL10783424 0.83 HSD17B10 (0.62) AKR1C3HSD17B10HPGDALOX15MEN1
SCHEMBL7627722 0.82 HSD17B10 (0.61) AKR1C3HSD17B10HPGDALOX15LMNA
Hydroquinone SCHEMBL28293513 0.82 HSD17B10 (0.71) HSD17B10HPGDALOX15MEN1LMNA
SCHEMBL11267684 0.80 HPGD (0.58) NR4A1HSD17B10HPGDALOX15MEN1
Phthalic Acid SCHEMBL9391164 0.80 HSD17B10 (0.68) AKR1C3HSD17B10HPGDALOX15LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES BAX, BCL2, BAD AKR1C3 2004/4885CDC25B 366/4885ATM 1184/4885

“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.