SCHEMBL963205

SCHEMBL963205

CC/C(=C\c1c(C)nn(C)c1-n1ccc2ccccc21)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPN1 P18031 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
MAPT P10636 3/20 0.32
MGLL Q99685 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
NOTUM Q6P988 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
LMNA P02545 1/20 0.32
TBXAS1 P24557 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
SCHEMBL963207 1.00 PHGDH (0.36) PHGDHALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL962735 0.87 ROCK1 (0.34) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL962734 0.87 ROCK1 (0.34) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL964446 0.86 CDC7 (0.34)
SCHEMBL967494 0.86 CDC7 (0.34)
SCHEMBL964752 0.86 MAPT (0.38) MAPTTBXAS1
SCHEMBL964750 0.86 MAPT (0.38) MAPTTBXAS1
SCHEMBL963262 0.86 TBXAS1 (0.36) TBXAS1
SCHEMBL963260 0.86 TBXAS1 (0.36) TBXAS1
SCHEMBL966083 0.85 MAPT (0.36) PHGDHSMN1; SMN2KMT2AMAPTRXFP1

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 PHGDH 1142/4885ALDH1A1 821/4885NPC1 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.