SCHEMBL20176312

SCHEMBL20176312

CNC(=O)CCCNCCOc1ccc(I)cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.37
KDM4E B2RXH2 5/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
PAICS P22234 1/20 0.33
P2RY12 Q9H244 1/20 0.33

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
SCHEMBL20204118 0.86 DRD2 (0.43) LTA4HKDM4EL3MBTL1MEN1KMT2A
SCHEMBL20176313 0.76 HTT (0.31) MAPTPAICS
SCHEMBL20176642 0.74 CA14 (0.34) MTNR1AMTNR1BPDE3BPDE3AP2RY12
SCHEMBL20163498 0.74 L3MBTL1 (0.39) L3MBTL1MTNR1AMTNR1BMEN1MAPT
SCHEMBL18260901 0.73 MTNR1A (0.37) L3MBTL1MTNR1AMTNR1BMEN1MAPT
SCHEMBL11491393 0.72 ALDH1A1 (0.33) KDM4EDRD2DRD4DRD3
SCHEMBL20173482 0.71 CA12 (0.50) MEN1KMT2A
SCHEMBL11486145 0.70 ALDH1A1 (0.35) KDM4EDRD2DRD4DRD3
SCHEMBL11483160 0.70 ALDH1A1 (0.35) KDM4EDRD2DRD4DRD3
SCHEMBL11486767 0.70 ALDH1A1 (0.35) KDM4EDRD2DRD4DRD3

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-20190337921-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-11-07 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 (3 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 LTA4H 4278/4885KDM4E 2462/4885L3MBTL1 1911/4885
US-20190337921-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 LTA4H 4278/4885KDM4E 2462/4885L3MBTL1 1911/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 LTA4H 4104/4885KDM4E 1882/4885L3MBTL1 1848/4885

“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.