SCHEMBL257677

SCHEMBL257677

COCCOc1cc(I)ccc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 4/20 0.42
HTT P42858 3/20 0.42
HSP90AA1 P07900 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MDH1 P40925 1/20 0.39
MDH2 P40926 1/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL13392322 0.88 ALDH1A1 (0.45) MAPTHTTHSP90AA1NPSR1KDM4E
SCHEMBL3743259 0.88 TDP1 (0.49) TDP1MAPTHTTHSP90AA1NPSR1
SCHEMBL10047544 0.88 TDP1 (0.49) TDP1MAPTHTTHSP90AA1NPSR1
SCHEMBL343448 0.86 TDP1 (0.47) TDP1MAPTHTTHSP90AA1NPSR1
SCHEMBL257662 0.86 ALDH1A1 (0.45) HTTNPSR1KDM4EKMT2AALDH1A1
SCHEMBL384675 0.84 MAPT (0.53) TDP1MAPTHTTHSP90AA1NPSR1
SCHEMBL256739 0.84 TDP1 (0.62) TDP1MAPTHTTNPSR1KDM4E
SCHEMBL3738882 0.84 MAOA (0.49) TDP1MAPTKDM4EKMT2AALDH1A1
SCHEMBL31685952 0.84 KDM4E (0.49) TDP1MAPTHTTHSP90AA1NPSR1
SCHEMBL25788934 0.84 MAOA (0.49) TDP1MAPTKDM4EKMT2AALDH1A1

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-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
EP-2612848-A1 CYCLIC AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-07-10 EP disclosed
WO-2012029942-A1 CYCLIC AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-03-08 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-20130217692-A1 CYCLIC AMIDE DERIVATIVE HDAC10, H1-10, H1-0 TDP1 4667/4885MAPT 3973/4885HTT 3281/4885

“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.