SCHEMBL20201334

SCHEMBL20201334

O=COc1ccc(-c2cc(-c3ccc(C(=O)O)cc3)c3ccc4c(-c5ccc(C(=O)O)cc5)cc(-c5ccc(OC=O)cc5)c5ccc2c3c54)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
RXRA P19793 3/20 0.40
ERN1 O75460 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MAP4K4 O95819 1/20 0.39
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
PTPN11 Q06124 1/20 0.38
P2RY14 Q15391 1/20 0.38
CYP2C8 P10632 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
SRD5A2 P31213 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RXRB P28702 2/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36

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
SCHEMBL25634104 0.93 XDH (0.40) HSD17B10RXRAERN1CA1CA2
SCHEMBL25634115 0.88 RARB (0.43) HSD17B10RXRAERN1CA1CA2
SCHEMBL18504207 0.88 HSD17B10 (0.49) HSD17B10RXRAERN1CA1CA2
SCHEMBL29434900 0.84 TP53 (0.50) HSD17B10RXRACA1CA2MAP4K4
SCHEMBL15521776 0.84 TP53 (0.50) HSD17B10RXRACA1CA2MAP4K4
SCHEMBL29434901 0.84 TP53 (0.50) HSD17B10RXRACA1CA2MAP4K4
SCHEMBL14768869 0.82 ALDH1A1 (0.50) HSD17B10RXRACA1CA2MAP4K4
SCHEMBL12780511 0.82 HSD17B10 (0.56) HSD17B10RXRAERN1CA1CA2
SCHEMBL12312924 0.81 HCRTR1 (0.46) MAP4K4PTPN11HCRTR1HCRTR2SRD5A2
SCHEMBL12535966 0.81 RXRA (0.54) HSD17B10RXRAERN1CA1CA2

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-20180147284-A1 Amorphous Metal-Organic Frameworks CAMBRIDGE ENTERPRISE LIMITED (GB) 2018-05-31 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-20180147284-A1 Amorphous Metal-Organic Frameworks ZKSCAN2, IKZF3, SLC30A6 HSD17B10 4490/4885RXRA 384/4885ERN1 4416/4885

“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.