SCHEMBL13675229

SCHEMBL13675229

CCc1cc(-c2cc[nH]n2)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
MAP2K4 P45985 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
MAPKAPK3 Q16644 1/20 0.35
MAPK6 Q16659 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
TRPA1 O75762 1/20 0.33
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KCNH2 Q12809 2/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL19368353 0.87 ESR1 (0.37) ESR1ESR2TRPA1PDE4APDE4B
SCHEMBL13675152 0.81 HSD17B1 (0.47) ESR1ESR2ALPLCA12CA9
SCHEMBL30745584 0.79 NOTUM (0.43) MAPK1TRPA1NPC1RAB9A
SCHEMBL3103824 0.79 NOTUM (0.43) MAPK1TRPA1NPC1RAB9A
SCHEMBL13675220 0.78 SRD5A2 (0.40) MAPK1NPC1RAB9AHSD17B10PDE4A
SCHEMBL8202122 0.78 DAPK3 (0.47) NPC1RAB9AKCNH2ALPLCA12
Hydrochloric Acid SCHEMBL31178133 0.77 DAPK3 (0.46) NPC1RAB9AKCNH2CA12CA9
SCHEMBL15889935 0.76 PDE4A (0.47) MAPK1TP53SMN1; SMN2HSD17B10PDE4A
SCHEMBL12096274 0.75 KDM1A (0.46) MAPK1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4096433 0.75 HSD17B1 (0.53) ESR1ESR2ALPLCA12CA9

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-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 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-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB MAPK1 1428/4885MAP2K4 2337/4885MAPKAPK2 1501/4885

“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.