SCHEMBL5483956

SCHEMBL5483956

Cc1c(F)c(=O)oc2cc(OCc3ccccc3)c(F)c(F)c12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 12/20 0.56
▸ BRD4 O60885 1/20 0.53
▸ ACHE P22303 4/20 0.50
▸ MAOA P21397 3/20 0.46
▸ EDNRA P25101 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 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
SCHEMBL4058366 0.82 RXFP1 (0.47) MAOBBRD4MAPTMAPK1TDP1
SCHEMBL2454830 0.76 ALDH1A1 (0.50) MAOBBRD4MAPTTDP1KDM4E
SCHEMBL21379597 0.71 HSD17B3 (0.46) MAOBBRD4MAPTKDM4EALDH1A1
SCHEMBL10655601 0.71 MAOB (0.58) MAOBBRD4ACHEMAOAEDNRA
SCHEMBL17704705 0.69 MAOB (0.69) MAOBACHEMAOAEDNRAKDM4E
SCHEMBL1147722 0.68 HSD17B3 (0.51) MAOAMAPTMAPK1KDM4EALDH1A1
SCHEMBL3063473 0.68 HSD17B3 (0.44) MAOBBRD4MAPTMAPK1KDM4E
SCHEMBL26095806 0.68 MAPT (0.49) MAOBL3MBTL1MAPTMAPK1TDP1
SCHEMBL4218836 0.68 MAOB (0.54) MAOBACHEMAOAKDM4EALDH1A1
SCHEMBL26360003 0.67 L3MBTL1 (0.56) BRD4L3MBTL1MAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-12-20 — — US disclosed
US-7235577-B1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-26 — — US disclosed
EP-1248614-A4 NON-PEPTIDE INHIBITION OF T-LYMPHOCYTE ACTIVATION AND THERAPIES RELATED THERETO UNIV CALIFORNIA (US) 2005-05-04 — — EP disclosed
US-6803375-B1 IMMUNOMODULATION IN A MAMMALIAN PATIENT WITHOUT CAUSING SUBSTANTIAL INHIBITION OF CYTOCHROME P-450 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-10-12 — — US disclosed
EP-1248614-A2 NON-PEPTIDE INHIBITION OF T-LYMPHOCYTE ACTIVATION AND THERAPIES RELATED THERETO The Regents of The University of California (US) 2002-10-16 — — EP disclosed
WO-2001049663-A2 NON-PEPTIDE INHIBITION OF T-LYMPHOCYTE ACTIVATION AND THERAPIES RELATED THERETO THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-07-12 — — WO 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-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto NFATC1, ORAI1, KCNMA1 MAOB 3426/4885BRD4 3230/4885ACHE 2646/4885

“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.

Send feedback