SCHEMBL4943600

SCHEMBL4943600

CCOC(=O)c1ccc2cc(O)ccc2c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.57
CA2 P00918 4/20 0.57
CA7 P43166 4/20 0.57
CA9 Q16790 4/20 0.57
CA14 Q9ULX7 4/20 0.57
CA1 P00915 3/20 0.57
MAOB P27338 2/20 0.50
MIF P14174 1/20 0.50
PFKFB3 Q16875 1/20 0.50
MAOA P21397 1/20 0.50
AKR1B1 P15121 1/20 0.44
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL4953550 0.87 ALDH1A1 (0.45) CA12CA2CA7CA9CA14
SCHEMBL4954414 0.84 CA12 (0.62) CA12CA2CA7CA9CA14
SCHEMBL11030723 0.81 CDC25B (0.58) MEN1KMT2AGAATSHRKDM4E
SCHEMBL4138140 0.81 ESR1 (0.49) CA12CA2CA7CA9CA14
SCHEMBL4940465 0.79 ALDH1A1 (0.46) CA12CA2CA7CA9CA14
SCHEMBL2116049 0.78 CDC25B (0.58) CA12CA2CA7CA9CA14
SCHEMBL8773446 0.78 CA12 (0.54) CA12CA2CA7CA9CA14
SCHEMBL4947607 0.77 ALDH1A1 (0.42) CA12CA2CA7CA9CA14
SCHEMBL11833593 0.76 CA12 (0.68) CA12CA2CA7CA9CA14
SCHEMBL10449048 0.75 CA12 (0.77) CA12CA2CA7CA9CA14

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549598-A4 NAPTHTHALENE DERIVATIVES WHICH INHIBIT THE CYTOKINE OR BIOLOGICAL ACTIVITY OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) CORTICAL PTY LTD (AU) 2008-01-23 EP claimed
US-20060106102-A1 Napththalene derivatives which inhibit the cytokine or biological activity of microphage migration inhibitory factor (mif) Morand, Eric 2006-05-18 US claimed
EP-1549598-A1 NAPTHTHALENE DERIVATIVES WHICH INHIBIT THE CYTOKINE OR BIOLOGICAL ACTIVITY OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) Cortical Pty Ltd (AU) 2005-07-06 EP claimed
WO-2003104178-A1 NAPTHTHALENE DERIVATIVES WHICH INHIBIT THE CYTOKINE OR BIOLOGICAL ACTIVITY OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) CORTICAL PTY LTD (AU) 2003-12-18 WO claimed
US-20060106102-A1 Napththalene derivatives which inhibit the cytokine or biological activity of microphage migration inhibitory factor (mif) Morand, Eric 2006-05-18 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-20060106102-A1 Napththalene derivatives which inhibit the cytokine or biological activity of microphage migration inhibitory factor (mif) MIF, ARG1, MSR1 CA12 1448/4885CA2 3698/4885CA7 3026/4885

“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.