SCHEMBL452313

SCHEMBL452313

COC(=O)CCCCCN1Cc2c(cc(OC)c(OC)c2-c2ccc(C(F)(F)F)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RORC P51449 1/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 1/20 0.34
FSHR P23945 4/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
KDM4E B2RXH2 1/20 0.34
AKR1C3 P42330 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
SCHEMBL450867 0.92 KDM4E (0.42) ALDH1A1HPGDNPC1TP53MAPT
SCHEMBL437105 0.88 FAAH (0.40) ALDH1A1HPGDTP53MAPTHDAC1
SCHEMBL450113 0.85 HDAC1 (0.36) ALDH1A1HPGDHDAC1KDM4E
SCHEMBL452508 0.85 HDAC1 (0.53) HDAC1HDAC6
SCHEMBL740176 0.84 AKR1C3 (0.41) S1PR1ALDH1A1HPGDNPC1TP53
SCHEMBL438418 0.84 HDAC1 (0.37) ALDH1A1HPGDHDAC1HDAC6KDM4E
SCHEMBL450140 0.81 EGFR (0.41) ALDH1A1SMN1; SMN2MEN1CYP3A4KMT2A
SCHEMBL437104 0.80 KDM4E (0.47) ALDH1A1HPGDMAPTTSHRSMN1; SMN2
SCHEMBL438402 0.79 HDAC1 (0.42) ALDH1A1HPGDHDAC1HDAC6KDM4E
SCHEMBL450252 0.77 KDM4E (0.43) ALDH1A1HPGDMAPTSMN1; SMN2HDAC1

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 S1PR1 1071/4885ALDH1A1 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.