SCHEMBL16488564

SCHEMBL16488564

O=COc1cc(C(=O)O)cc(-c2cc(OC=O)cc(C(=O)O)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.42
RXRA P19793 1/20 0.42
AURKA O14965 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
FABP1 P07148 1/20 0.36
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
CREBBP Q92793 1/20 0.36
AKR1C3 P42330 1/20 0.36
PLA2G2A P14555 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
SCHEMBL25551247 0.96 RXRA (0.46) DHODHRXRAAURKATPX2MEN1
SCHEMBL16488563 0.94 RXRA (0.50) DHODHRXRAAURKATPX2FABP1
SCHEMBL16488560 0.94 RXRA (0.50) DHODHRXRAAURKATPX2FABP1
SCHEMBL12349931 0.92 CA12 (0.42) MEN1KMT2ACA12CA1CA2
SCHEMBL15119805 0.91 RXRA (0.56) DHODHRXRAHSD17B10
SCHEMBL18875268 0.90 DHODH (0.36) DHODHRXRAAURKATPX2MEN1
SCHEMBL14680895 0.90 RXRA (0.46) DHODHRXRAMEN1KMT2AFABP1
SCHEMBL12384276 0.90 MEN1 (0.44) RXRAMEN1KMT2ACA12CA1
SCHEMBL17053238 0.87 BRD4 (0.39) DHODHRXRABRD4BRD2CREBBP
SCHEMBL16769642 0.87 BRD4 (0.41) DHODHRXRAFABP1BRD4BRD2

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-9593132-B2 Metal-organic frameworks (MOF) for gas capture THE UNIVERSITY OF NOTTINGHAM (GB) 2017-03-14 US disclosed
US-20150152123-A1 Aluminum Metal Organic Framework Materials U.S. DEPARTMENT OF ENERGY 2015-06-04 US disclosed
US-20150047505-A1 METAL-ORGANIC FRAMEWORKS (MOF) FOR GAS CAPTURE THE UNIVERSITY OF NOTTINGHAM (GB) 2015-02-19 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 (2 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-20150047505-A1 METAL-ORGANIC FRAMEWORKS (MOF) FOR GAS CAPTURE HAO2, TRPM6, FTH1 DHODH 641/4885RXRA 2096/4885AURKA 649/4885
US-20150152123-A1 Aluminum Metal Organic Framework Materials AS3MT, ORAI2, ORAI3 DHODH 2288/4885RXRA 4007/4885AURKA 260/4885

“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.