SCHEMBL13699436

SCHEMBL13699436

CN[C@@H](Cc1cccc(O)c1)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.50
HPGDS O60760 4/20 0.45
CHRNA1 P02708 2/20 0.44
CHRNG P07510 2/20 0.44
CHRNB1 P11230 2/20 0.44
CHRND Q07001 2/20 0.44
NLRP3 Q96P20 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CTSL P07711 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NOS2 P35228 1/20 0.42
ENPP2 Q13822 1/20 0.42
HIF1A Q16665 1/20 0.41
SLC7A5 Q01650 1/20 0.41

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
SCHEMBL3130840 0.87 GRIA2 (0.54) GRIA2HPGDSCHRNA1CHRNGCHRNB1
SCHEMBL25101016 0.87 GRIA2 (0.54) GRIA2HPGDSCHRNA1CHRNGCHRNB1
SCHEMBL13768442 0.84 HSP90AB1 (0.44) ALDH1A1CYP3A4
SCHEMBL25888572 0.84 NLRP3 (0.57) GRIA2CHRNA1CHRNGCHRNB1CHRND
SCHEMBL25100771 0.84 NLRP3 (0.57) GRIA2CHRNA1CHRNGCHRNB1CHRND
SCHEMBL15179166 0.84 CTSB (0.48) ALDH1A1CTSL
SCHEMBL14942915 0.83 PNMT (0.51) ALDH1A1CTSL
SCHEMBL16574567 0.83 CTSB (0.48) ALDH1A1CYP1A2HIF1ASLC7A5
SCHEMBL24711924 0.83 SLC1A1 (0.49) ALDH1A1
SCHEMBL14898396 0.83 PNMT (0.51) ALDH1A1CTSL

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-20090221598-A1 Use of Sanglifehrin in HCV LIN KAI 2009-09-03 US disclosed
US-20090221598-A1 Use of Sanglifehrin in HCV LIN KAI 2009-09-03 US 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-20090221598-A1 Use of Sanglifehrin in HCV HAVCR2, HCCS, HSP90B1 GRIA2 4786/4885HPGDS 1138/4885CHRNA1 4654/4885

“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.