SCHEMBL1299546

SCHEMBL1299546

O=Cc1ccc(OCCCCC2CCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 13/20 0.63
PTGES O14684 1/20 0.63
NFE2L2 Q16236 1/20 0.53
HRH3 Q9Y5N1 1/20 0.51
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
S1PR5 Q9H228 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44

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
SCHEMBL1299878 0.95 HPGD (0.62) HPGDPTGESNFE2L2HRH3ALDH1A1
SCHEMBL1299967 0.91 NFE2L2 (0.64) HPGDPTGESNFE2L2HRH3ALDH1A1
SCHEMBL1300352 0.89 NFE2L2 (0.61) HPGDPTGESNFE2L2HRH3ALDH1A1
SCHEMBL3072288 0.87 NFE2L2 (0.59) HPGDPTGESNFE2L2HRH3ALDH1A1
SCHEMBL3079542 0.85 HPGD (0.56) HPGDPTGESNFE2L2HRH3ALDH1A1
SCHEMBL9154877 0.82 HPGD (0.54) HPGDPTGESALDH1A1LMNAMAPT
SCHEMBL9154866 0.82 HPGD (0.54) HPGDPTGESALDH1A1LMNAMAPT
SCHEMBL16761852 0.82 HPGD (0.52) HPGDPTGESNFE2L2ALDH1A1LMNA
SCHEMBL1299658 0.81 HPGD (0.59) HPGDALDH1A1
SCHEMBL10906512 0.81 HPGD (0.59) HPGDALDH1A1

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
EP-2383263-B1 NOVEL THIAZOLIDINEDIONE DERIVATIVE AND USE THEREOF UNIV CHOSUN IACF (KR) 2014-04-16 EP disclosed
US-8637558-B2 Thiazolidinedione derivative and use thereof INDUSTRY-ACADEMIC COOPERATION FOUNDATION, CHOSUN UNIVERSITY (KR) 2014-01-28 US disclosed
US-20110269954-A1 NOVEL THIAZOLIDINEDIONE DERIVATIVE AND USE THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, CHOSUN UNIVERSITY (KR) 2011-11-03 US disclosed
EP-2383263-A2 NOVEL THIAZOLIDINEDIONE DERIVATIVE AND USE THEREOF Industry-academic Cooperation Foundation, Chosun University (KR) 2011-11-02 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-20110269954-A1 NOVEL THIAZOLIDINEDIONE DERIVATIVE AND USE THEREOF HPGD, CYP27B1, GCDH HPGD 1/4885PTGES 33/4885NFE2L2 284/4885

“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.