SCHEMBL12365276

SCHEMBL12365276

O=C(O)c1ccc2c(c1)C(c1ccccc1)CCC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ HAO1 Q9UJM8 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.50
▸ MAPK1 P28482 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ KMO O15229 1/20 0.44
▸ GID4 Q8IVV7 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ SRD5A2 P31213 2/20 0.42
▸ SRD5A1 P18405 1/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ DRD1 P21728 2/20 0.42

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
SCHEMBL2258847 0.85 IGF1R (0.53) IGF1RALOX15HAO1MAPK1MAPK14
SCHEMBL10923648 0.83 ALDH1A1 (0.46) IGF1RALOX15HAO1ALDH1A1MAPK1
SCHEMBL12366952 0.83 IGF1R (0.51) IGF1RALOX15HAO1MAPK1MAPK14
SCHEMBL10923862 0.82 KMO (0.51) IGF1RALOX15ALDH1A1KMOKDM4E
SCHEMBL29653974 0.78 ALDH1A1 (0.56) ALDH1A1MAPK1HTTCYP1A2KDM4E
SCHEMBL8370378 0.77 ALDH1A1 (0.54) ALDH1A1MAPK1HTTCYP1A2KDM4E
SCHEMBL2027583 0.77 ALDH1A1 (0.54) ALDH1A1MAPK1HTTCYP1A2KDM4E
SCHEMBL15235463 0.77 ALDH1A1 (0.54) ALDH1A1HTTCYP1A2KDM4EKMT2A
Hydrochloric Acid SCHEMBL784724 0.76 ALDH1A1 (0.53) ALDH1A1MAPK1HTTCYP1A2KDM4E
SCHEMBL29842306 0.76 GID4 (0.62) IGF1RALOX15HAO1ALDH1A1MAPK1

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 3 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
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 IGF1R 2319/4885ALOX15 894/4885HAO1 2720/4885

“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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