SCHEMBL2913306

SCHEMBL2913306

COc1ccc(CCC(c2ccc(OCC(=O)O)cc2)N2CCCC3(C2)NC(=O)N(CC(C)C)C3=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
AKR1B1 P15121 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
RAB9A P51151 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
SCHEMBL2913047 0.76 MEN1 (0.40) NPC1ALDH1A1AKR1B1MEN1KMT2A
SCHEMBL2912996 0.74 ALDH1A1 (0.39) NPC1ALDH1A1AKR1B1MEN1KMT2A
SCHEMBL2919374 0.71 NPC1 (0.38) NPC1ALDH1A1MAPK1AKR1B1MEN1
SCHEMBL2915416 0.71 LMNA (0.40) POLBNPC1ALDH1A1AKR1B1MEN1
SCHEMBL2916363 0.63 ITGB3 (0.41) ALDH1A1MAPK1TP53TSHRUSP2
SCHEMBL19095281 0.60 KMT2A (0.73) NPC1ALDH1A1MAPK1AKR1B1MEN1
SCHEMBL656832 0.60 LMNA (0.67) POLBALDH1A1MEN1KMT2ATSHR
SCHEMBL9323967 0.59 ALDH1A1 (0.59) ALDH1A1TSHRLMNA
SCHEMBL14032658 0.59 ALDH1A1 (0.49) ALDH1A1MAPK1MEN1KMT2ATSHR
SCHEMBL27906819 0.59 LMNA (0.65) POLBALDH1A1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979355-B1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2010-08-18 EP claimed
US-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 US claimed
EP-1979355-B1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2010-08-18 EP disclosed
US-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 US disclosed
EP-1979355-A1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2008-10-15 EP disclosed
WO-2007087448-A1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2007-08-02 WO 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-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS PPARD, PPARG, PPARA POLB 1911/4885NPC1 831/4885ALDH1A1 736/4885

“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.