SCHEMBL14628581

SCHEMBL14628581

CCCCOC(=O)CCCNC(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.51
TLR2 O60603 3/20 0.49
MMEL1 Q495T6 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
EPHX2 P34913 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
SCHEMBL18554061 0.86 REN (0.64) RENCYP3A4CYP2D6
SCHEMBL20474604 0.86 REN (0.64) RENCYP3A4CYP2D6
SCHEMBL14598317 0.86 MEN1 (0.52) TLR2MMEL1MEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL6896628 0.85 REN (0.62) RENCYP3A4CYP2D6
SCHEMBL29300391 0.82 REN (0.59) REN
SCHEMBL29300413 0.81 DPP7 (0.58) RENTLR2
SCHEMBL31303644 0.81 CYP3A4 (0.49) MEN1ALDH1A1KMT2ACYP3A4CYP2D6
SCHEMBL27163859 0.79 REN (0.60) REN
SCHEMBL3409209 0.79 REN (0.60) REN
SCHEMBL987969 0.79 REN (0.60) REN

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 REN 1943/4885TLR2 2440/4885MMEL1 1273/4885

“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.