SCHEMBL16488558

SCHEMBL16488558

O=COc1cc(C(=O)O)cc(-c2ccc(-c3cc(OC=O)cc(C(=O)O)c3)c3ccccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AKR1C3 P42330 1/20 0.39
KMO O15229 1/20 0.38
CYP2C8 P10632 2/20 0.37
FABP1 P07148 1/20 0.36
P2RY14 Q15391 1/20 0.36
TTR P02766 1/20 0.36
PTGER1 P34995 1/20 0.35
PTPRC P08575 2/20 0.35
CYP2C9 P11712 1/20 0.35
NR4A2 P43354 1/20 0.35
MAPK1 P28482 1/20 0.35
MAP2K4 P45985 1/20 0.35
MAPKAPK3 Q16644 1/20 0.35
MAPK6 Q16659 1/20 0.35

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
SCHEMBL16488564 0.84 DHODH (0.42) DHODHMEN1KMT2AAKR1C3FABP1
SCHEMBL16488681 0.83 DHODH (0.53) DHODHMEN1KMT2AKMOCYP2C8
SCHEMBL16488560 0.82 RXRA (0.50) DHODHFABP1
SCHEMBL16488563 0.82 RXRA (0.50) DHODHFABP1
SCHEMBL25551247 0.80 RXRA (0.46) DHODHMEN1KMT2AMAPK1
SCHEMBL16488557 0.80 ERN1 (0.34) DHODHMEN1KMT2AAKR1C3TTR
SCHEMBL16488559 0.80 BRD4 (0.36) DHODHAKR1C3TTR
SCHEMBL12349931 0.80 CA12 (0.42) MEN1KMT2AAKR1C3TTRMAPK1
SCHEMBL15119805 0.80 RXRA (0.56) DHODH
SCHEMBL12384276 0.78 MEN1 (0.44) MEN1KMT2AAKR1C3TTRMAPK1

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-9593132-B2 Metal-organic frameworks (MOF) for gas capture THE UNIVERSITY OF NOTTINGHAM (GB) 2017-03-14 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 (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-20150047505-A1 METAL-ORGANIC FRAMEWORKS (MOF) FOR GAS CAPTURE HAO2, TRPM6, FTH1 DHODH 641/4885MEN1 3128/4885KMT2A 1172/4885

“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.