SCHEMBL5311463

SCHEMBL5311463

CC(C=O)Cc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 7/20 0.41
TP53 P04637 3/20 0.41
TSHR P16473 1/20 0.41
MAOB P27338 1/20 0.39
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
CHRM2 P08172 1/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL11460047 0.81 USP2 (0.44) ALDH1A1TSHRPOLBHPGDCHRM2
SCHEMBL28585127 0.78 ALDH1A1 (0.39) RAB9ANPC1ALDH1A1TSHRMAOB
SCHEMBL105226 0.77
SCHEMBL9523165 0.77 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1TP53TSHR
SCHEMBL10664022 0.77 SLC1A3 (0.44) RAB9ANPC1ALDH1A1TSHRMAOB
SCHEMBL1696705 0.77 SLC1A3 (0.44) RAB9ANPC1ALDH1A1TSHRMAOB
Acrolein SCHEMBL28037767 0.77 RAB9A (0.44) RAB9ANPC1ALDH1A1TP53MAOB
SCHEMBL25281400 0.74
SCHEMBL1687251 0.74
SCHEMBL13692285 0.74

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-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD. (GB) 2009-10-01 US disclosed
US-7425562-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LTD. (GB) 2008-09-16 US disclosed
WO-2007047394-A2 THIOTRIAZOLYL DERIVATIVES EPIX DELAWARE, INC. (US) 2007-04-26 WO 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-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 RAB9A 2121/4885NPC1 2743/4885ALDH1A1 3489/4885

“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.