SCHEMBL12389756

SCHEMBL12389756

COC(=O)c1ccc2c(c1)C(c1ccccc1OC)=CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PDK2 Q15119 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TRPA1 O75762 2/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ESR1 P03372 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
SCHEMBL12388971 0.93 MAPT (0.43) MAPTRAB9ASMN1; SMN2PDK2L3MBTL1
SCHEMBL12390182 0.89 SRD5A2 (0.46) MAPTRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL12390109 0.89 MAPK14 (0.40) MAPTRAB9ASMN1; SMN2PDK2L3MBTL1
SCHEMBL12389769 0.89 CREBBP (0.40) MAPTRAB9ASMN1; SMN2PDK2ALDH1A1
SCHEMBL12390204 0.89 BRD4 (0.47) MAPTRAB9ASMN1; SMN2PDK2ALDH1A1
SCHEMBL12389840 0.88 MAPT (0.41) MAPTRAB9ASMN1; SMN2PDK2L3MBTL1
SCHEMBL12389011 0.88 PDK2 (0.46) MAPTRAB9ASMN1; SMN2PDK2L3MBTL1
SCHEMBL12365526 0.88 PDK2 (0.41) MAPTRAB9ASMN1; SMN2PDK2L3MBTL1
SCHEMBL13384593 0.87 RAB9A (0.47) MAPTRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL12389781 0.87 MAPK14 (0.48) MAPTRAB9ASMN1; SMN2ALDH1A1HPGD

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — 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-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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