SCHEMBL3424497

SCHEMBL3424497

CCOC(=O)c1cc(C)n(Cc2ccccc2)c(=O)c1OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.66
KDM4E B2RXH2 3/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
PKM P14618 1/20 0.49
NOTUM Q6P988 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 1/20 0.48
MAOB P27338 1/20 0.47
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TDP2 O95551 1/20 0.46
NSD2 O96028 1/20 0.46
PLCG1 P19174 1/20 0.46
PAX8 Q06710 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL17961926 0.90 TSHR (0.55) TSHRKDM4EMAPTGAAALDH1A1
SCHEMBL13367221 0.89 TSHR (0.63) TSHRKDM4ELMNAMAPTGAA
SCHEMBL3424562 0.88 NOTUM (0.60) TSHRKDM4EGAANOTUMALDH1A1
SCHEMBL7220431 0.84 TSHR (0.49) TSHRKDM4EGAAALDH1A1MAOB
SCHEMBL11973871 0.83 TSHR (0.48) TSHRKDM4ELMNAMAPTGAA
SCHEMBL13339999 0.82 ALDH1A1 (0.48) TSHRKDM4ELMNAGAAALDH1A1
SCHEMBL15716479 0.81 CYP1A2 (0.48) TSHRKDM4ELMNANOTUMALDH1A1
SCHEMBL8940579 0.80 TSHR (0.80) TSHRKDM4ELMNAMAPTGAA
SCHEMBL14886582 0.80 TSHR (1.00) TSHRKDM4ELMNAMAPTGAA
SCHEMBL13339916 0.79 KLKB1 (0.55) TSHRNOTUMKLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140178503-A1 CYCLOHEXYL UREA MODULATORS OF D2 RECEPTORS AND/OR D3 RECEPTORS AUSPEX PHARMACEUTICALS, INC. (US) 2014-06-26 US disclosed
US-7718781-B2 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-05-18 US disclosed
US-7718781-B2 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-05-18 US disclosed
EP-1423399-A4 HYDROXYPYRIDONATE AND HYDROXYPYRIMIDINONE CHELATING AGENTS UNIV CALIFORNIA (US) 2008-05-07 EP disclosed
WO-2007121453-A2 2-HYDROXY-1-OXO 1,2 DIHYDRO ISOQUINOLINE CHELATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-25 WO disclosed
US-6846915-B2 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-01-25 US disclosed
US-20050008570-A1 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-01-13 US disclosed
EP-1423399-A2 HYDROXYPYRIDONATE AND HYDROXYPYRIMIDINONE CHELATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-06-02 EP disclosed
US-20030095922-A1 Hydroxypyridonate and hydroxypyrimidinone chelating agents REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-05-22 US disclosed
WO-2003016923-A2 HYDROXYPYRIDONATE AND HYDROXYPYRIMIDINONE CHELATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-02-27 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 (2 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-20050008570-A1 Hydroxypyridonate and hydroxypyrimidinone chelating agents HAMP, GDI1, MPI TSHR 3682/4885KDM4E 732/4885LMNA 2842/4885
US-20140178503-A1 CYCLOHEXYL UREA MODULATORS OF D2 RECEPTORS AND/OR D3 RECEPTORS UTS2R, VDR, PTGDR TSHR 48/4885KDM4E 3737/4885LMNA 4564/4885

“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.