SCHEMBL1300604

SCHEMBL1300604

CC1(COc2ccc(C=O)cc2C(F)(F)F)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
PARP1 P09874 1/20 0.42
FDPS P14324 1/20 0.38
CTSS P25774 2/20 0.37
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
SCN9A Q15858 2/20 0.35
KDM4E B2RXH2 2/20 0.34
KIF11 P52732 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
AOX1 Q06278 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
SCHEMBL15223546 0.82 HPGD (0.36) HPGDPARP1CTSSALDH1A1TSHR
SCHEMBL12406323 0.81 HPGD (0.67) HPGDPARP1
SCHEMBL2171881 0.81 HPGD (0.67) HPGDPARP1
SCHEMBL2171875 0.81 HPGD (0.67) HPGDPARP1
SCHEMBL13400007 0.77 FDPS (0.44) HPGDFDPSALDH1A1TSHRKDM4E
SCHEMBL11991676 0.75 FDPS (0.46) HPGDFDPSALDH1A1TSHRKIF11
SCHEMBL1299701 0.75 HPGD (0.63) HPGDPARP1ALDH1A1TSHRKDM4E
SCHEMBL1299738 0.74 HPGD (0.66) HPGDFDPS
SCHEMBL6228116 0.74 ALDH1A1 (0.60) HPGDFDPSALDH1A1TSHRKDM4E
SCHEMBL13881641 0.73 MAOA (0.49) HPGDPARP1ALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885PARP1 3763/4885FDPS 1287/4885

“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.