SCHEMBL450867

SCHEMBL450867

COc1cc2c(c(-c3ccc(C(F)(F)F)cc3)c1OC)CN(CCCCCC(=O)O)C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
S1PR5 Q9H228 2/20 0.37
PPARD Q03181 1/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LTB4R Q15722 2/20 0.36
MAPT P10636 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL452313 0.92 S1PR1 (0.36) KDM4EALDH1A1HPGDTSHRCYP3A4
SCHEMBL437104 0.89 KDM4E (0.47) KDM4EALDH1A1HPGDPDE4APDE4B
SCHEMBL740176 0.87 AKR1C3 (0.41) KDM4EALDH1A1HPGDPPARAS1PR5
SCHEMBL452508 0.84 HDAC1 (0.53) HDAC1
SCHEMBL438425 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDPDE4APDE4B
SCHEMBL448249 0.81 ALDH1A1 (0.42) KDM4EALDH1A1HPGDCYP3A4SMN1; SMN2
SCHEMBL450113 0.77 HDAC1 (0.36) KDM4EALDH1A1HPGDHDAC1
SCHEMBL449182 0.75 HDAC1 (0.59) HDAC1
SCHEMBL450140 0.73 EGFR (0.41) ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL447230 0.71 HDAC1 (0.54) HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716326-B2 Isoindolinone derivatives, preparation method thereof and a pharmaceutical composition comprising same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-05-06 US disclosed
EP-2429987-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Korea Research Institute Of Chemical Technology (KR) 2012-03-21 EP disclosed
US-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-15 US disclosed
WO-2010131922-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-11-18 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-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME PPIP5K2, SOST, ALPL KDM4E 2116/4885ALDH1A1 2138/4885HPGD 313/4885

“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.