SCHEMBL20163583

SCHEMBL20163583

O=C(O)N(C/C=C/C(=O)N1CCC1)CCOc1ccc(I)cn1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPV1 Q8NER1 1/20 0.30
KCNH2 Q12809 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL20163586 1.00 GPR183 (0.34) GPR183MEN1KMT2ATRPV1KCNH2
SCHEMBL20163419 0.98 GPR183 (0.32) GPR183MEN1KMT2ATRPV1
SCHEMBL20163403 0.98 GPR183 (0.32) GPR183MEN1KMT2ATRPV1
SCHEMBL20163407 0.98 GPR183 (0.32) GPR183MEN1KMT2ATRPV1
SCHEMBL20163425 0.98 GPR183 (0.32) GPR183MEN1KMT2ATRPV1
SCHEMBL20163347 0.91 RAB9A (0.37) MEN1KMT2A
SCHEMBL20163344 0.91 RAB9A (0.37) MEN1KMT2A
SCHEMBL20173481 0.87 GPR183 (0.33) GPR183MEN1KMT2A
SCHEMBL20173479 0.85 MEN1 (0.33) GPR183MEN1KMT2A
SCHEMBL20163534 0.85 MEN1 (0.33) GPR183MEN1KMT2A

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 GPR183 161/4885MEN1 3869/4885KMT2A 3295/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 GPR183 154/4885MEN1 4136/4885KMT2A 2884/4885

“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.