SCHEMBL5494526

SCHEMBL5494526

O=C(O)CC1(CC(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)NCCCCNc2ncccn2)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
FOLH1 Q04609 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TACR2 P21452 5/20 0.42
KDM4E B2RXH2 1/20 0.41
CHRNA1 P02708 2/20 0.41
CHRNG P07510 2/20 0.41
CHRNB1 P11230 2/20 0.41
CHRND Q07001 2/20 0.41
MAPT P10636 1/20 0.41
GRIA1 P42261 2/20 0.40
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
MMP1 P03956 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
SCHEMBL5492106 1.00 GAA (0.46) GAAFOLH1ALDH1A1TACR2KDM4E
SCHEMBL5491007 0.99 GAA (0.45) GAAFOLH1ALDH1A1TACR2KDM4E
SCHEMBL5494642 0.99 GAA (0.45) GAAFOLH1ALDH1A1TACR2KDM4E
SCHEMBL5491193 0.83 TACR2 (0.55) FOLH1ALDH1A1TACR2MAPTMMP1
SCHEMBL5492379 0.82 PTPN1 (0.52) FOLH1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL5496771 0.82 PTPN1 (0.52) FOLH1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL5494652 0.82 TACR2 (0.53) FOLH1ALDH1A1TACR2CHRNA1CHRNG
SCHEMBL5491032 0.82 FOLH1 (0.50) FOLH1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL5495776 0.82 FOLH1 (0.50) FOLH1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL5493574 0.80 CHRNA1 (0.47) ALDH1A1TACR2CHRNA1CHRNGCHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia SIRCAR JAGADISH C 2007-01-04 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-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia CETP, LDLR, NPC1L1 GAA 1315/4885FOLH1 1672/4885ALDH1A1 4076/4885

“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.