SCHEMBL16488559

SCHEMBL16488559

Cc1cc(-c2cc(OC=O)cc(C(=O)O)c2)c(C)cc1-c1cc(OC=O)cc(C(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
CREBBP Q92793 1/20 0.36
TPMT P51580 1/20 0.36
RXRA P19793 1/20 0.35
RARB P10826 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
CASP6 P55212 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DHODH Q02127 3/20 0.33
PLA2G2A P14555 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
NR4A1 P22736 1/20 0.33
NOTUM Q6P988 1/20 0.33
CNR2 P34972 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33

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 0.85 DHODH (0.42) BRD4BRD2CREBBPTPMTRXRA
SCHEMBL16769642 0.83 BRD4 (0.41) BRD4BRD2CREBBPTPMTRXRA
SCHEMBL16488614 0.83 TPMT (0.50) TPMTRXRARARBKDM4EDHODH
SCHEMBL16488562 0.83 BRD4 (0.43) BRD4BRD2CREBBPTPMTRXRA
SCHEMBL14680895 0.83 RXRA (0.46) BRD4BRD2CREBBPTPMTRXRA
SCHEMBL25551247 0.81 RXRA (0.46) TPMTRXRAKDM4EDHODHPLA2G2A
SCHEMBL16488557 0.81 ERN1 (0.34) BRD4BRD2CREBBPRXRAKDM4E
SCHEMBL12349931 0.81 CA12 (0.42) TPMTKDM4EPLA2G2AAKR1C3TTR
SCHEMBL16488560 0.80 RXRA (0.50) RXRADHODH
SCHEMBL16488563 0.80 RXRA (0.50) RXRADHODH

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 BRD4 4568/4885BRD2 4398/4885CREBBP 4699/4885

“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.