SCHEMBL5117738

SCHEMBL5117738

CCCN1C(=O)C(OC)(OC)c2cc(SCCc3ccc(C(=O)OCC)cc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 3/20 0.35
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AKR1B1 P15121 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CBX7 O95931 1/20 0.34

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
SCHEMBL5118471 0.95 TP53 (0.36) TP53POLBSMN1; SMN2LMNATHRB
SCHEMBL5126197 0.94 TP53 (0.39) TP53POLBSMN1; SMN2LMNATHRB
SCHEMBL5111306 0.93 TP53 (0.39) TP53SMN1; SMN2LMNATHRBMAPT
SCHEMBL5118191 0.93 TP53 (0.39) TP53SMN1; SMN2LMNATHRBMAPT
SCHEMBL5125008 0.90 SMN1; SMN2 (0.38) POLBSMN1; SMN2LMNATHRBMAPT
SCHEMBL5124414 0.90 TP53 (0.39) TP53SMN1; SMN2LMNATHRBMAPT
SCHEMBL5114573 0.89 LMNA (0.42) TP53SMN1; SMN2LMNATHRBMAPT
SCHEMBL5113535 0.89 TP53 (0.38) TP53LMNATHRBMAPTKCNJ1
SCHEMBL5118444 0.87 TP53 (0.42) TP53LMNAMAPTMEN1KMT2A
SCHEMBL5110369 0.84 TP53 (0.36) TP53POLBSMN1; SMN2LMNATHRB

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-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 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-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA TP53 482/4885POLB 1376/4885SMN1; SMN2 4795/4885

“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.