SCHEMBL629633

SCHEMBL629633

CC(C)(C)OC(=O)Nc1cc2cc(OCc3ccccc3)ccc2cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
PTPN1 P18031 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2C9 P11712 2/20 0.44
PTGER1 P34995 1/20 0.44
HDAC1 Q13547 1/20 0.44
LTA4H P09960 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
BRD4 O60885 2/20 0.43
SRD5A2 P31213 2/20 0.43
MAPT P10636 2/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
MAOB P27338 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
KDM4E B2RXH2 2/20 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
SCHEMBL2993578 0.94 TACR3 (0.46) NPC1RAB9ASMN1; SMN2CYP2C9PTGER1
SCHEMBL630652 0.89 LRRK2 (0.46) CYP2C9PTGER1BRD4
SCHEMBL30026828 0.89 LRRK2 (0.46) CYP2C9PTGER1BRD4
SCHEMBL3910099 0.82 MAOB (0.53) PTPN1NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL4485886 0.82 PLAU (0.52) ALOX5PTPN1NPC1RAB9ASMN1; SMN2
SCHEMBL22626751 0.81 NPC1 (0.50) NPC1RAB9ASMN1; SMN2CYP2C9PTGER1
SCHEMBL7381558 0.81 CTSV (0.52) NPC1RAB9ASMN1; SMN2HDAC1LTA4H
SCHEMBL27960495 0.81 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2CYP2C9PTGER1
SCHEMBL11959262 0.80 BRD4 (0.51) NPC1RAB9ACYP2C9PTGER1MRGPRX4
SCHEMBL7342794 0.80 BRD4 (0.68) NPC1RAB9ACYP2C9PTGER1HDAC1

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-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC ALOX5 215/4885PTPN1 23/4885NPC1 3537/4885

“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.