SCHEMBL4345980

SCHEMBL4345980

O=C(O)C=Cc1cc(Br)c(OCc2cc(Cl)cc(NC3CCC3)c2Cl)c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA3 P07451 2/20 0.32
CA6 P23280 2/20 0.32
CA7 P43166 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CISD1 Q9NZ45 1/20 0.32
CA12 O43570 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CDC25B P30305 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL4345974 1.00 KDM4E (0.36) KDM4EGAAMEN1KMT2ACA1
SCHEMBL5717812 0.86 DDR1 (0.32) RAB9A
SCHEMBL5717815 0.86 DDR1 (0.32) RAB9A
SCHEMBL5717904 0.84 DDR1 (0.31)
SCHEMBL5717909 0.84 DDR1 (0.31)
SCHEMBL4351645 0.83 KDM4E (0.38) KDM4EGAAAPPFOXO1PLA2G1B
SCHEMBL4351638 0.83 KDM4E (0.38) KDM4EGAAAPPFOXO1PLA2G1B
SCHEMBL4348547 0.82 KDM4E (0.39) KDM4EGAAMEN1KMT2APOLB
SCHEMBL4348539 0.82 KDM4E (0.39) KDM4EGAAMEN1KMT2APOLB
SCHEMBL4353267 0.81 THRA (0.50) THRATHRB

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
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO claimed
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO disclosed
US-20080221210-A1 Thyroid Receptor Agonists KARO BIO AB (SE) 2008-09-11 US 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-20080221210-A1 Thyroid Receptor Agonists TSHR, TRHR, THRA KDM4E 1703/4885GAA 4551/4885MEN1 773/4885

“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.