SCHEMBL20173482

SCHEMBL20173482

CC(C)(C)OC(=O)NCCCOc1ccc(I)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.50
CA1 P00915 7/20 0.50
CA2 P00918 7/20 0.50
CA9 Q16790 7/20 0.50
STK17B O94768 1/20 0.46
STK17A Q9UEE5 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.42
SCN9A Q15858 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP3A43 Q9HB55 1/20 0.42
GABRA5 P31644 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL18289997 0.96 CA12 (0.49) CA12CA1CA2CA9STK17B
SCHEMBL22393663 0.89 BCHE (0.43) CA12CA1CA2CA9STK17B
SCHEMBL20204057 0.86 CA12 (0.51) CA12CA1CA2CA9STK17B
SCHEMBL23720472 0.85 CA12 (0.50) CA12CA1CA2CA9STK17B
SCHEMBL16980667 0.85 CA1 (0.53) CA12CA1CA2CA9STK17B
SCHEMBL30131245 0.82 CA12 (0.50) CA12CA1CA2CA9STK17B
SCHEMBL18530385 0.82 CA12 (0.50) CA12CA1CA2CA9STK17B
SCHEMBL15894974 0.81 CA12 (0.68) CA12CA1CA2CA9TDP1
SCHEMBL20163498 0.81 L3MBTL1 (0.39) MEN1KMT2AGABRA5
SCHEMBL16980508 0.81 CA12 (0.49) CA12CA1CA2CA9STK17B

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-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-08-13 US disclosed
US-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 US disclosed
US-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 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 (2 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-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 CA12 2129/4885CA1 3739/4885CA2 3119/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 CA12 2177/4885CA1 4047/4885CA2 3634/4885

“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.