SCHEMBL12389840

SCHEMBL12389840

COC(=O)c1ccc2c(c1)C(c1c(OC)cccc1OC)=CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ CYP4F2 P78329 1/20 0.37
▸ CYP4A11 Q02928 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ FGFR2 P21802 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ FGFR3 P22607 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL12365045 0.93 IGF1R (0.38) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL12389153 0.92 MAPK14 (0.42) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL12365304 0.89 ALDH1A1 (0.35) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL12389841 0.89 LMNA (0.45) MAPTRAB9ASMN1; SMN2NPC1TSHR
SCHEMBL12389756 0.88 MAPT (0.45) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL12390109 0.86 MAPK14 (0.40) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL12365419 0.85 MAPK14 (0.43) RAB9AKMT2AMAPK14LOXL2NPC1
SCHEMBL12390311 0.83 MAPT (0.38) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL12389838 0.83 HTR5A (0.46) MAPTRAB9ASMN1; SMN2
SCHEMBL12390297 0.83 MAPK14 (0.44) MAPTRAB9ASMN1; SMN2KMT2AMEN1

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US disclosed
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 — — EP 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E MAPT 463/4885RAB9A 430/4885SMN1; SMN2 3728/4885

“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.

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