SCHEMBL12388971

SCHEMBL12388971

COC(=O)c1ccc2c(c1)C(c1ccccc1OC)=CCCC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PDK2 Q15119 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CTNNB1 P35222 1/20 0.38
▸ WNT3A P56704 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL12389756 0.93 MAPT (0.45) MAPTRAB9ASMN1; SMN2PDK2ALDH1A1
SCHEMBL12388982 0.89 SRD5A2 (0.44) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL12365277 0.87 PDK2 (0.42) MAPTRAB9ASMN1; SMN2PDK2NPC1
SCHEMBL12365278 0.84 PTGS2 (0.45) MAPTRAB9APDK2ALDH1A1HPGD
SCHEMBL12389908 0.84 HTR2B (0.47) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL12390182 0.82 SRD5A2 (0.46) MAPTRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL12389769 0.82 CREBBP (0.40) MAPTRAB9ASMN1; SMN2PDK2NPC1
SCHEMBL12390204 0.82 BRD4 (0.47) MAPTRAB9ASMN1; SMN2PDK2ALDH1A1
SCHEMBL12390109 0.82 MAPK14 (0.40) MAPTRAB9ASMN1; SMN2PDK2NPC1
SCHEMBL12389840 0.81 MAPT (0.41) MAPTRAB9ASMN1; SMN2PDK2NPC1

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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