SCHEMBL678123

SCHEMBL678123

CC(C)(C)C(=O)O[C@H](C=O)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.41
CTSB P07858 4/20 0.41
CTSL P07711 3/20 0.41
CTSH P09668 2/20 0.41
ELANE P08246 1/20 0.41
CYP1A2 P05177 1/20 0.41
ATM Q13315 1/20 0.40
CTRB1 P17538 1/20 0.40
SRR Q9GZT4 2/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39

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
SCHEMBL9667316 1.00 CTSK (0.41) CTSKCTSBCTSLCTSHELANE
SCHEMBL4517205 0.82 ALDH1A1 (0.46) CTSKCTSBCTSLCTSHCYP1A2
SCHEMBL28540100 0.82 SRR (0.46) CTSKCTSBCTSLCTSHCYP1A2
SCHEMBL27580730 0.82 ALDH1A1 (0.46) CTSKCTSBCTSLCTSHCYP1A2
SCHEMBL7296959 0.82 SRR (0.46) CTSKCTSBCTSLCTSHCYP1A2
SCHEMBL14762630 0.82 SRR (0.46) CTSKCTSBCTSLCTSHCYP1A2
SCHEMBL13223447 0.82 CYP1A2 (0.47) CTSKCTSBCTSLCTSHCYP1A2
SCHEMBL395107 0.81 SCN9A (0.47) CTSKCTSBCTSLCTSHATM
SCHEMBL27496212 0.81 SCN9A (0.47) CTSKCTSBCTSLCTSHATM
SCHEMBL395106 0.81 SCN9A (0.47) CTSKCTSBCTSLCTSHATM

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0184550-B1 5-AMINO-4-HYDROXY VALERYL AMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-03-18 EP claimed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US claimed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 EP claimed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
US-20090197823-A1 ALISKIREN MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2009-08-06 US disclosed
EP-0184550-B1 5-AMINO-4-HYDROXY VALERYL AMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-03-18 EP disclosed
US-4931591-A Novel 5-amino-4-hydroxyvaleryl derivatives CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 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 (3 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-20090197823-A1 ALISKIREN MODULATION OF NEUROGENESIS DCX, NGF, BDNF CTSK 256/4885CTSB 572/4885CTSL 1317/4885
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 CTSK 3447/4885CTSB 1577/4885CTSL 3936/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF CTSK 419/4885CTSB 138/4885CTSL 801/4885

“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.