SCHEMBL4840252

SCHEMBL4840252

CCC(CNC(=O)O)Nc1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
MAPK1 P28482 3/20 0.40
POLB P06746 2/20 0.40
GAA P10253 4/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CXCR2 P25025 1/20 0.39
LMNA P02545 4/20 0.39
HPGD P15428 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SYK P43405 1/20 0.37
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 2/20 0.36
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL6885166 0.82 IDO1 (0.62) IDO1MAPK1POLBGAAKMT2A
SCHEMBL27408743 0.76 IDO1 (0.51) IDO1MAPK1POLBGAAKMT2A
SCHEMBL4229462 0.70 TSHR (0.48) IDO1GAAKMT2AMEN1CXCR2
SCHEMBL11140267 0.69 KDM4E (0.54) GAAKMT2AMEN1CXCR2LMNA
SCHEMBL25438138 0.69 IDO1 (0.42) IDO1POLBGAAKMT2AMEN1
Catechol SCHEMBL28023341 0.69 CA1 (0.49) POLBGAAKMT2AMEN1LMNA
SCHEMBL5323369 0.68 HPGD (0.49) MAPK1GAAKMT2AMEN1LMNA
SCHEMBL5323373 0.68 HPGD (0.49) MAPK1GAAKMT2AMEN1LMNA
SCHEMBL16333185 0.68 TSHR (0.56) POLBGAAKMT2AMEN1LMNA
SCHEMBL19214720 0.68 IDO1 (0.43) IDO1MAPK1POLBGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449315-B2 Bifunctional energy-reversible acyl-compositions CRYOLIFE, INC. (US) 2008-11-11 US disclosed
US-20070167644-A1 BIFUNCTIONAL ENERGY-REVERSIBLE ACYL-COMPOSITIONS CRYOLIFE, INC. (US) 2007-07-19 US disclosed
EP-1392204-A4 BIFUNCTIONAL ENERGY-REVERSIBLE ACYL-COMPOSITIONS CRYOLIFE INC (US) 2007-07-18 EP disclosed
US-7157458-B2 Bifunctional energy-reversible acyl-compositions CRYOLIFE, INC. (US) 2007-01-02 US disclosed
US-20060106204-A1 Bifunctional energy-reversible acyl-compositions GILBERT CARL W 2006-05-18 US disclosed
EP-1392204-A2 BIFUNCTIONAL ENERGY-REVERSIBLE ACYL-COMPOSITIONS CryoLife, Inc. (US) 2004-03-03 EP disclosed
US-20020187993-A1 Bifunctional energy-reversible acyl-compositions CRYOLIFE, INC. 2002-12-12 US disclosed
WO-2002083030-A2 BIFUNCTIONAL ENERGY-REVERSIBLE ACYL-COMPOSITIONS CRYOLIFE, INC. (US) 2002-10-24 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 (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-20020187993-A1 Bifunctional energy-reversible acyl-compositions ACACB, ACACA, ACAT1 IDO1 2865/4885MAPK1 4838/4885POLB 1928/4885
US-20070167644-A1 BIFUNCTIONAL ENERGY-REVERSIBLE ACYL-COMPOSITIONS ACACB, ACAT1, ACACA IDO1 3019/4885MAPK1 4863/4885POLB 2055/4885
US-20060106204-A1 Bifunctional energy-reversible acyl-compositions ACACB, ACAT1, ACACA IDO1 3019/4885MAPK1 4863/4885POLB 2055/4885

“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.