SCHEMBL3552780

SCHEMBL3552780

CCOC(=O)c1cc(F)c(F)c(CBr)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
TSHR P16473 2/20 0.43
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
PLK1 P53350 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 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
SCHEMBL13341770 0.87 TSHR (0.46) TSHRCA12CA1CA2CA7
SCHEMBL7008683 0.86 TSHR (0.44) TSHRCA12CA1CA2CA7
SCHEMBL2001481 0.83 TSHR (0.52) TSHRCA12CA1CA2CA7
SCHEMBL3552305 0.82 TSHR (0.44) TSHRCA12CA1CA2CA7
SCHEMBL31237050 0.81 CYP4F2 (0.56) CYP4F2CYP4A11TSHRCA12CA1
SCHEMBL22261525 0.81 TSHR (0.47) CYP4F2CYP4A11TSHRCA12CA1
SCHEMBL7009763 0.81 TSHR (0.46) CYP4F2CYP4A11TSHRCA12CA1
SCHEMBL2184188 0.80 TSHR (0.48) TSHRCA12CA1CA2CA7
SCHEMBL7813719 0.79 TSHR (0.52) TSHRCA12CA1CA2CA7
SCHEMBL31237092 0.78 TSHR (0.50) TSHRCA12CA1CA2CA7

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-1669354-B1 8-CYANOQUINOLONECARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
US-7723524-B2 8-cyanoquinolonecarboxylic acid derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-05-25 US disclosed
US-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-10-16 US disclosed
EP-1669354-A1 8-CYANOQUINOLONECARBOXYLIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-06-14 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-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative QPCT, ASNS, C3AR1 CYP4F2 3202/4885CYP4A11 406/4885TSHR 2894/4885

“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.