SCHEMBL3085349

SCHEMBL3085349

Cc1cccc(OCCCOc2ccc(C3CCN(C(=O)O)CC3O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PPARD Q03181 2/20 0.48
PPARG P37231 2/20 0.45
FFAR1 O14842 1/20 0.45
ALOX5 P09917 1/20 0.45
PPARA Q07869 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 2/20 0.43
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH3 Q9Y5N1 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
SCHEMBL3072493 0.90 HRH3 (0.49) KMT2ANPC1RAB9APPARDPPARG
SCHEMBL3193386 0.89 RAB9A (0.45) KMT2ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3080397 0.88 HRH3 (0.48) TP53PPARDPPARGFFAR1EPHX2
SCHEMBL3081651 0.88 KDM1A (0.43) KMT2AMAPTRAB9ASMN1; SMN2PPARD
SCHEMBL3083327 0.88 GPR119 (0.46) KMT2ANPC1TP53MAPTRAB9A
SCHEMBL6041843 0.87 RAB9A (0.45) KMT2ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6043844 0.86 MEN1 (0.45) KMT2ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3072157 0.85 KDM4E (0.47) KMT2AMAPTPPARDPPARGALOX5
SCHEMBL3072738 0.84 PPARG (0.45) KMT2ANPC1RAB9APPARDPPARG
SCHEMBL3072128 0.83 KDM1A (0.42) KMT2ANPC1MAPTRAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 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 (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-20090012055-A1 Organic compounds REN, ACE, ACE2 KMT2A 3839/4885NPC1 794/4885TP53 3631/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 KMT2A 3839/4885NPC1 794/4885TP53 3631/4885

“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.