SCHEMBL4875235

SCHEMBL4875235

COCCOc1ccc(-c2cc(-c3cccc(C(=O)OCC(=O)C(C)(C)C)c3)on2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 6/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PTPN1 P18031 4/20 0.41
SMPD1 P17405 1/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
PRKD1 Q15139 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4876081 0.90 CXCR1 (0.46) CXCR1NPC1RAB9APTPN1SMPD1
SCHEMBL4865429 0.83 CXCR1 (0.54) CXCR1NPC1RAB9APTPN1SMPD1
SCHEMBL12171466 0.76 NPC1 (0.58) NPC1RAB9APTPN1TP53MAPT
SCHEMBL12171839 0.76 SMPD1 (0.55) CXCR1NPC1RAB9ASMPD1TP53
SCHEMBL6190547 0.74 CXCR1 (0.52) CXCR1NPC1RAB9APTPN1SMPD1
SCHEMBL12171462 0.73 MAPT (0.53) CXCR1NPC1RAB9ASMPD1TP53
SCHEMBL12171576 0.73 NPC1 (0.56) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL12171580 0.72 TP53 (0.52) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL936989 0.72 TP53 (0.52) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL12171579 0.71 TP53 (0.51) CXCR1NPC1RAB9ATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432293-B2 Heterocyclic compounds useful as Nurr-1 activators NOVARTIS AG (CH) 2008-10-07 US disclosed
US-20060089365-A1 Heterocyclic compounds useful as nurr-1 activators NOVARTIS AG (CH) 2006-04-27 US disclosed
EP-1597243-A1 HETEROCYCLIC COMPOUNDS USEFUL AS NURR-1 ACTIVATORS Novartis AG (CH) 2005-11-23 EP disclosed
WO-2004072050-A1 HETEROCYCLIC COMPOUNDS USEFUL AS NURR-1 ACTIVATORS NOVARTIS AG (CH) 2004-08-26 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-20060089365-A1 Heterocyclic compounds useful as nurr-1 activators NCOR1, NCOR2, NR4A1 CXCR1 261/4885NPC1 620/4885RAB9A 2603/4885

“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.