SCHEMBL677369

SCHEMBL677369

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
CYP1A2 P05177 1/20 0.44
CYP24A1 Q07973 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
ALPL P05186 1/20 0.41
POLB P06746 1/20 0.41
ALPG P10696 1/20 0.41
MDM2 Q00987 1/20 0.41
EPHX1 P07099 1/20 0.41
ACE P12821 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL9665756 1.00 MAPT (0.50) MAPTCYP1A2CYP24A1TAAR1MEN1
SCHEMBL20016694 0.80 ALPI (0.50) CYP1A2TAAR1MEN1KMT2ANPC1
SCHEMBL2561452 0.80 CYP1A2 (0.57) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL28176691 0.79 ATM (0.49) MAPTCYP1A2SLC7A5POLBACE
SCHEMBL9666948 0.79 NPC1 (0.45) MAPTTAAR1MEN1KMT2ANPC1
SCHEMBL10057903 0.79 ALPI (0.63) MAPTCYP1A2TAAR1ALPIPKM
Benzene SCHEMBL28150184 0.79 ALPI (0.48) CYP1A2TAAR1MEN1KMT2ANPC1
SCHEMBL12420357 0.79 ALPI (0.63) MAPTCYP1A2TAAR1ALPIPKM
SCHEMBL8462971 0.78 MDM2 (0.55) MAPTCYP1A2CYP24A1NPC1RAB9A
Hydrochloric Acid SCHEMBL30483294 0.77 ALPI (0.61) MAPTCYP1A2TAAR1ALPIPKM

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 11 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
WO-2010111136-A2 ALISKIREN MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2010-09-30 WO 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 MAPT 2001/4885CYP1A2 4843/4885CYP24A1 1340/4885
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 MAPT 1062/4885CYP1A2 4703/4885CYP24A1 1318/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF MAPT 1368/4885CYP1A2 4049/4885CYP24A1 502/4885

“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.