SCHEMBL14730658

SCHEMBL14730658

C[C@@H](C(=O)O)[C@@H](NC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.65
HPGD P15428 1/20 0.65
HDAC1 Q13547 1/20 0.62
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
KEAP1 Q14145 5/20 0.56
NFE2L2 Q16236 5/20 0.56
NPC1 O15118 1/20 0.51
CTRB1 P17538 1/20 0.50
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL18471342 0.88 LMNA (0.63) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL16312541 0.88 LMNA (0.63) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL7839495 0.87 LMNA (0.61) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL7839491 0.87 LMNA (0.61) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL7356638 0.85 PRSS1 (0.56) LMNAHPGDHDAC1ALDH1A1TP53
SCHEMBL12104795 0.84 LMNA (0.67) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL2786631 0.81 LMNA (0.63) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL6277 0.81 LMNA (0.67) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL530337 0.81 LMNA (0.67) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL8108955 0.81 LMNA (0.67) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2

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-20130053433-A1 FATTY ACID DERIVATIVES AND ANALOGS OF DRUGS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2013-02-28 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-20130053433-A1 FATTY ACID DERIVATIVES AND ANALOGS OF DRUGS FFAR2, FASN, FFAR4 LMNA 1419/4885HPGD 599/4885HDAC1 685/4885

“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.