SCHEMBL2848083

SCHEMBL2848083

CCOc1cc(C)c(I)cc1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 3/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 2/20 0.42
CFTR P13569 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ATM Q13315 1/20 0.39
BPTF Q12830 1/20 0.38
GAA P10253 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL11810315 0.84 TDP1 (0.50) TDP1ALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL1918973 0.83 GAA (0.50) TDP1ALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL17560071 0.81 TDP1 (0.50) TDP1ALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL4503248 0.80 TDP1 (0.59) TDP1ALDH1A1HTTTSHRCYP3A4
SCHEMBL12488017 0.79 CFTR (0.42) ALDH1A1HTTTSHRCYP3A4CFTR
SCHEMBL25455691 0.78 CFTR (0.46) ALDH1A1TSHRCYP3A4CFTRKDM4E
SCHEMBL30280800 0.78 CFTR (0.46) TDP1ALDH1A1TSHRCYP3A4KMT2A
SCHEMBL1920431 0.78 CFTR (0.46) TDP1ALDH1A1TSHRCYP3A4KMT2A
SCHEMBL28406275 0.77 PDGFRB (0.53) TDP1ALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL256739 0.76 TDP1 (0.62) TDP1ALDH1A1HTTSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
EP-2119718-B1 MACROCYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-04-11 EP disclosed
EP-2119718-B1 MACROCYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-04-11 EP disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
EP-2119718-A1 MACROCYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2009-11-18 EP disclosed
EP-2119718-A1 MACROCYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2009-11-18 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-20100056510-A1 Macrocyclic Compound HSP90AB1, HSP90B1, HSP90AA1 TDP1 1669/4885ALDH1A1 834/4885HTT 891/4885

“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.