SCHEMBL12389897

SCHEMBL12389897

COC(=O)c1ccc2c(c1)C(c1ccccc1OC)=CCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 1/20 0.42
▸ WNT3A P56704 1/20 0.42
▸ NPC1 O15118 8/20 0.42
▸ RAB9A P51151 8/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ LMNA P02545 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 5/20 0.41
▸ TP53 P04637 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ THRA P10827 1/20 0.38

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
SCHEMBL12389898 0.90 CTNNB1 (0.43) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL12389790 0.88 LMNA (0.42) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL12365286 0.87 ALDH1A1 (0.43) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL12365288 0.85 PTGS2 (0.44) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL12389354 0.84 SLC9A1 (0.47) CTNNB1WNT3ANPC1RAB9A
SCHEMBL12389756 0.80 MAPT (0.45) RAB9ASMN1; SMN2KDM4EMAPTTSHR
SCHEMBL12388971 0.78 MAPT (0.43) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL13384468 0.78 RAB9A (0.37) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL12389594 0.78 LMNA (0.44) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL12365285 0.77 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2LMNAKDM4E

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 CTNNB1 4217/4885WNT3A 3594/4885NPC1 1519/4885

“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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