SCHEMBL438418

SCHEMBL438418

COC(=O)CCCCCN1Cc2c(cc(OC)c(OC)c2-c2cc(C)cc(C)c2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.37
CNR2 P34972 3/20 0.37
CNR1 P21554 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KAT2B Q92831 2/20 0.36
HDAC6 Q9UBN7 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL438425 0.91 KDM4E (0.46) HDAC1CNR2KDM4EALDH1A1HPGD
SCHEMBL450113 0.89 HDAC1 (0.36) HDAC1CNR2KDM4EALDH1A1HPGD
SCHEMBL437105 0.88 FAAH (0.40) HDAC1KDM4EALDH1A1HPGDHDAC6
SCHEMBL452313 0.84 S1PR1 (0.36) HDAC1KDM4EALDH1A1HPGDHDAC6
SCHEMBL450140 0.83 EGFR (0.41) ALDH1A1KMT2A
SCHEMBL449565 0.83 HDAC1 (0.56) HDAC1HDAC6HDAC8
SCHEMBL438402 0.83 HDAC1 (0.42) HDAC1CNR2KDM4EALDH1A1HPGD
SCHEMBL450252 0.80 KDM4E (0.43) HDAC1CNR2KDM4EALDH1A1HPGD
SCHEMBL437104 0.80 KDM4E (0.47) HDAC1KDM4EALDH1A1HPGD
SCHEMBL450867 0.76 KDM4E (0.42) HDAC1KDM4EALDH1A1HPGD

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 9 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
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
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
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
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
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 HDAC1 761/4885CNR2 3667/4885CNR1 3891/4885

“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.