SCHEMBL20163454

SCHEMBL20163454

O=C(O)N(C/C=C/C(=O)N1CCCC1)CCOc1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
HPGD P15428 6/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACHE P22303 1/20 0.37
PDE1A P54750 3/20 0.37
PDE1B Q01064 3/20 0.37
PDE1C Q14123 3/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL20163458 1.00 HRH3 (0.41) HRH3HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL20163579 0.90 RAB9A (0.49) HRH3RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL20163577 0.90 RAB9A (0.49) HRH3RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL20173470 0.86 HPGD (0.38) HRH3HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL20163403 0.85 GPR183 (0.32) HRH3RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL20163419 0.85 GPR183 (0.32) HRH3RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL20163425 0.85 GPR183 (0.32) HRH3RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL20163407 0.85 GPR183 (0.32) HRH3RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL20163586 0.83 GPR183 (0.34) KMT2AMEN1
SCHEMBL20163583 0.83 GPR183 (0.34) KMT2AMEN1

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
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
EP-3544974-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER Eisai R&D Management Co., Ltd. (JP) 2019-10-02 EP disclosed
WO-2018098305-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-31 WO 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 HRH3 3279/4885HPGD 3422/4885RAB9A 1518/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 HRH3 3112/4885HPGD 2899/4885RAB9A 1890/4885

“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.