SCHEMBL2262978

SCHEMBL2262978

COC(=O)c1ccc(OCC(CO)C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.58
▸ GAA P10253 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ RAB9A P51151 3/20 0.53
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL28335563 0.83 MAPT (0.64) MAPTGAATSHRALDH1A1LMNA
SCHEMBL20765902 0.82 MAPT (0.68) MAPTGAATSHRALDH1A1LMNA
SCHEMBL2261403 0.82 MAPT (0.57) MAPTGAATSHRALDH1A1LMNA
SCHEMBL28317169 0.81 LMNA (0.68) MAPTGAATSHRALDH1A1LMNA
SCHEMBL27243771 0.81 MAPT (0.66) MAPTGAATSHRALDH1A1LMNA
SCHEMBL8540479 0.80 MAPT (0.64) MAPTGAATSHRALDH1A1LMNA
SCHEMBL20794591 0.80 MAPT (0.64) MAPTGAATSHRALDH1A1LMNA
Hydrochloric Acid SCHEMBL7860367 0.80 MAPT (0.64) MAPTGAATSHRALDH1A1LMNA
SCHEMBL6776836 0.80 MAPT (0.64) MAPTGAATSHRALDH1A1LMNA
SCHEMBL12365663 0.79 MAPT (0.58) MAPTGAATSHRALDH1A1LMNA

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 MAPT 463/4885GAA 916/4885TSHR 821/4885

“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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