SCHEMBL437105

SCHEMBL437105

COC(=O)CCCCCN1Cc2c(cc(OC)c(OC)c2-c2ccccc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HTR7 P34969 3/20 0.38
DRD3 P35462 4/20 0.38
DRD2 P14416 3/20 0.38
DRD4 P21917 2/20 0.38
LTB4R Q15722 1/20 0.37
LMNA P02545 1/20 0.37
HDAC1 Q13547 2/20 0.37
DRD5 P21918 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL437104 0.92 KDM4E (0.47) ALDH1A1KDM4EHPGDHTR7DRD3
SCHEMBL450140 0.89 EGFR (0.41) ALDH1A1LMNA
SCHEMBL438418 0.88 HDAC1 (0.37) ALDH1A1KDM4EHPGDHDAC1HDAC8
SCHEMBL452313 0.88 S1PR1 (0.36) ALDH1A1KDM4EHPGDHDAC1HDAC6
SCHEMBL450113 0.87 HDAC1 (0.36) ALDH1A1KDM4EHPGDHTR7HDAC1
SCHEMBL449182 0.85 HDAC1 (0.59) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL438402 0.83 HDAC1 (0.42) ALDH1A1KDM4EHPGDHDAC1HDAC2
SCHEMBL448249 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDLMNA
SCHEMBL438425 0.81 KDM4E (0.46) ALDH1A1KDM4EHPGDHDAC1MAPT
SCHEMBL450867 0.81 KDM4E (0.42) ALDH1A1KDM4EHPGDLTB4RHDAC1

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
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
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

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 FAAH 2869/4885ALDH1A1 2138/4885KDM4E 2116/4885

“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.