SCHEMBL14598317

SCHEMBL14598317

N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCCC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
SLC15A1 P46059 1/20 0.47
HTT P42858 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
MMEL1 Q495T6 1/20 0.46
TLR2 O60603 1/20 0.44

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
SCHEMBL7387364 0.87 HRH4 (0.57) MEN1ALDH1A1HPGDKMT2ASLC15A1
SCHEMBL14628581 0.86 REN (0.51) MEN1ALDH1A1HPGDKMT2AMMEL1
Hydrochloric Acid SCHEMBL5492506 0.86 HRH4 (0.56) MEN1ALDH1A1HPGDKMT2ASLC15A1
Hydrochloric Acid SCHEMBL5492509 0.86 HRH4 (0.56) MEN1ALDH1A1HPGDKMT2ASLC15A1
SCHEMBL29580045 0.81 KMT2A (0.55) MEN1ALDH1A1HPGDKMT2ASLC15A1
Hydrochloric Acid SCHEMBL5494849 0.81 HDAC8 (0.49) SLC15A1
SCHEMBL12202915 0.80 MEN1 (0.62) MEN1ALDH1A1HPGDKMT2AHTT
SCHEMBL14598315 0.79 CTSS (0.64) MEN1ALDH1A1HPGDKMT2A
SCHEMBL18554061 0.79 REN (0.64)
SCHEMBL20474604 0.79 REN (0.64)

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 MEN1 4300/4885ALDH1A1 4076/4885HPGD 722/4885

“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.