SCHEMBL5029989

SCHEMBL5029989

CCCCNC(=O)N1CCCc2cccc(O)c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.52
KDM4E B2RXH2 2/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
NAMPT P43490 2/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL10581776 0.79 MEN1 (0.49) P2RX1KDM4EHTTKMT2AMEN1
SCHEMBL17544697 0.76 NOTUM (0.59) P2RX1KDM4EALOX12HTTKMT2A
SCHEMBL11537014 0.75 P2RX1 (0.50) P2RX1KDM4EHTTKMT2AMEN1
SCHEMBL4869903 0.73 AVPR2 (0.58) NAMPTPOLBADRB2ADRB1ADRB3
SCHEMBL4863318 0.73 AVPR2 (0.58) NAMPTPOLBADRB2ADRB1ADRB3
SCHEMBL4733611 0.73 LMNA (0.47) HTTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL7659645 0.73 MAPT (0.59) NAMPTKMT2AMEN1ALDH1A1PKM
SCHEMBL13311801 0.72 ALDH1A1 (0.47) KDM4EHTTKMT2AMEN1ALDH1A1
SCHEMBL10580272 0.70 ALDH1A1 (0.44) KDM4EHTTKMT2AMEN1ALDH1A1
SCHEMBL10580175 0.70 ALDH1A1 (0.44) KDM4EHTTKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-20050014833-A1 Cyclic compound and ppar agonist EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452521-A1 CYCLIC COMPOUND AND PPAR AGONIST Eisai Co., Ltd. (JP) 2004-09-01 EP 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-20050014833-A1 Cyclic compound and ppar agonist PPARA, PPARG, PPARD P2RX1 121/4885KDM4E 2818/4885ALOX12 339/4885

“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.