SCHEMBL16488681

SCHEMBL16488681

O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)c3ccccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.53
KMO O15229 1/20 0.50
DAO P14920 1/20 0.48
TSHR P16473 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
TTR P02766 1/20 0.47
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTPRC P08575 2/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.44
MAP2K4 P45985 1/20 0.44
MAPKAPK3 Q16644 1/20 0.44
MAPK6 Q16659 1/20 0.44
KMT2A Q03164 3/20 0.43
SRD5A2 P31213 2/20 0.43
POLB P06746 1/20 0.43
SRD5A1 P18405 1/20 0.43

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
SCHEMBL28075326 0.91 DHODH (0.46) DHODHKMOTSHRTDP1L3MBTL1
SCHEMBL29908924 0.86 DHODH (0.57) DHODHKMODAOTSHRNAPRT
SCHEMBL29908910 0.84 DHODH (0.55) DHODHKMODAOTSHRNAPRT
SCHEMBL16488558 0.83 DHODH (0.41) DHODHKMOTTRPTPRCCYP2C8
SCHEMBL29644549 0.83 DHODH (0.53) DHODHKMODAOTSHRNAPRT
SCHEMBL10009333 0.83 DHODH (0.53) DHODHKMODAOTSHRNAPRT
SCHEMBL18688870 0.82 EGFR (0.65) DHODHKMODAOTSHRNAPRT
SCHEMBL31658243 0.82 EGFR (0.65) DHODHKMODAOTSHRNAPRT
SCHEMBL29895711 0.80 TTR (0.55) DHODHKMOTTRTDP1L3MBTL1
SCHEMBL28375588 0.80 KDM4E (0.46) DHODHKMOATMTDP1L3MBTL1

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 641/4885KMO 1675/4885DAO 2206/4885

“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.