SCHEMBL962641

SCHEMBL962641

CCOC(=O)/C=C/c1c(C)nn(Cc2ccccc2)c1-n1ccc2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
GAA P10253 3/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 2/20 0.44
BLM P54132 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 3/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
PDE5A O76074 1/20 0.37
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL963544 0.90 L3MBTL1 (0.46) POLBGAAALDH1A1RAB9ABLM
SCHEMBL963546 0.90 L3MBTL1 (0.46) POLBGAAALDH1A1RAB9ABLM
SCHEMBL962300 0.85 LMNA (0.38) ALDH1A1RAB9AL3MBTL1LMNAMAPK1
SCHEMBL961710 0.83 L3MBTL1 (0.50) POLBGAAALDH1A1L3MBTL1KMT2A
SCHEMBL962642 0.82 L3MBTL1 (0.46) POLBGAAALDH1A1L3MBTL1KMT2A
SCHEMBL962643 0.82 L3MBTL1 (0.46) POLBGAAALDH1A1L3MBTL1KMT2A
SCHEMBL964548 0.81 PPARG (0.40) POLBGAAALDH1A1L3MBTL1KMT2A
SCHEMBL964545 0.81 PPARG (0.40) POLBGAAALDH1A1L3MBTL1KMT2A
SCHEMBL27772577 0.78 L3MBTL1 (0.43) POLBGAAALDH1A1L3MBTL1KMT2A
SCHEMBL966214 0.76 LMNA (0.36) RAB9ALMNASMN1; SMN2PDE5ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG POLB 1580/4885GAA 1120/4885ALDH1A1 821/4885

“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.