SCHEMBL5016771

SCHEMBL5016771

Cc1cc(OCc2ccccc2)cc2c1ccn2CC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.44
BCL2 P10415 2/20 0.41
MCL1 Q07820 2/20 0.41
MAPK14 Q16539 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAOB P27338 2/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
MAOA P21397 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL27676181 0.83 MCHR1 (0.43) MCHR1BCL2MCL1MAPK14S1PR1
SCHEMBL28759878 0.82 MCHR1 (0.40) MCHR1BCL2MCL1MAPK14S1PR1
SCHEMBL5016775 0.81 HDAC6 (0.39) KMT2AKDM4EALDH1A1
SCHEMBL7641512 0.80 MAPK14 (0.62) MCHR1MAPK14
SCHEMBL17023325 0.78 MAOB (0.51) MEN1KMT2AMAOBLTB4RLTB4R2
SCHEMBL12480610 0.76 LTB4R (0.57) MAOBLTB4RLTB4R2CASP3SENP8
SCHEMBL12479930 0.75 LTB4R (0.56) MAOBLTB4RLTB4R2PPARDPPARA
SCHEMBL5016818 0.74 PPARD (0.41) PPARDPPARAKDM4E
SCHEMBL29122911 0.74 MAOB (0.44) S1PR1S1PR5NPC1RAB9AMEN1
SCHEMBL13195398 0.74 S1PR1 (0.54) S1PR1S1PR5MAOBL3MBTL1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 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 (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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG MCHR1 1346/4885BCL2 2207/4885MCL1 2737/4885

“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.