SCHEMBL13625508

SCHEMBL13625508

COc1ccc(-c2ccc(CC(C)C)cc2)nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
PPARG P37231 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
NR2E3 Q9Y5X4 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
MAPT P10636 7/20 0.43
LMNA P02545 3/20 0.43
XDH P47989 1/20 0.41
S1PR1 P21453 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DHODH Q02127 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL13637133 0.81 RAB9A (0.47) NPC1RAB9APPARGDUSP3PTPN5
SCHEMBL13625509 0.79 XDH (0.43) NPC1RAB9AMAPTLMNAXDH
SCHEMBL7225328 0.79 NPC1 (0.49) NPC1RAB9APPARGDUSP3PTPN5
SCHEMBL12192847 0.78 S1PR1 (0.44) XDHS1PR1DHODH
SCHEMBL25146392 0.77 MKNK1 (0.50) NPC1LMNAPKM
SCHEMBL29703893 0.74 MAPT (0.62) NPC1RAB9AMAPTLMNATP53
SCHEMBL13140612 0.74 MAPT (0.49) NPC1RAB9APPARGDUSP3PTPN5
SCHEMBL9140591 0.73 LMNA (0.48) NPC1RAB9APPARGDUSP3PTPN5
SCHEMBL3253036 0.73 LMNA (0.59) NPC1RAB9APPARGDUSP3PTPN5
SCHEMBL1752864 0.72 LMNA (0.58) NPC1RAB9AMAPTLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 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-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 NPC1 77/4885RAB9A 94/4885PPARG 2178/4885

“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.