SCHEMBL964006

SCHEMBL964006

CC/C(=C\c1c(C)nn(C)c1-n1cc(Cl)c2ccccc21)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ATM Q13315 2/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
L3MBTL1 Q9Y468 4/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 2/20 0.32
RORC P51449 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR2 P34972 3/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL964008 1.00 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2NPC1RAB9AATM
SCHEMBL962824 0.85 ELANE (0.37) L3MBTL1RORC
SCHEMBL962825 0.85 ELANE (0.37) L3MBTL1RORC
SCHEMBL965889 0.81 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AATM
SCHEMBL964450 0.81 NPC1 (0.36) ALDH1A1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL965890 0.81 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AATM
SCHEMBL964449 0.81 NPC1 (0.36) ALDH1A1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL963207 0.80 PHGDH (0.36) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL963205 0.80 PHGDH (0.36) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL964005 0.79 RAB9A (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AATM

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 ALDH1A1 821/4885SMN1; SMN2 4710/4885NPC1 1538/4885

“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.