SCHEMBL12389769

SCHEMBL12389769

CCOc1ccccc1C1=CCCc2ccc(C(=O)OC)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 2/20 0.40
▸ PDK2 Q15119 2/20 0.40
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ RAB9A P51151 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ TTR P02766 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL12389773 0.91 TDP1 (0.40) PDK2MAPTALDH1A1HPGDTDP1
SCHEMBL12389853 0.89 TTR (0.49) MAPTALDH1A1HPGDTDP1TTR
SCHEMBL12389756 0.89 MAPT (0.45) PDK2MAPTALDH1A1HPGDRAB9A
SCHEMBL12365476 0.85 PDK2 (0.42) PDK2ALDH1A1HPGDKDM4ETSHR
SCHEMBL12390204 0.84 BRD4 (0.47) PDK2MAPTALDH1A1HPGDRAB9A
SCHEMBL12389011 0.83 PDK2 (0.46) PDK2MAPTALDH1A1HPGDRAB9A
SCHEMBL12365526 0.83 PDK2 (0.41) PDK2MAPTALDH1A1HPGDRAB9A
SCHEMBL12390376 0.83 SLC9A1 (0.48) —
SCHEMBL12365069 0.82 PDK2 (0.43) PDK2MAPTALDH1A1HPGDTP53
SCHEMBL12364981 0.82 PDK2 (0.43) PDK2MAPTALDH1A1HPGDRAB9A

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 CREBBP 3578/4885PDK2 3920/4885MAPT 463/4885

“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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