SCHEMBL20163534

SCHEMBL20163534

CC(C)(C)OC(=O)N(C/C=C/C(=O)N1CCCC1)CCOc1ccc(I)cn1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
GPR183 P32249 1/20 0.32
BTK Q06187 1/20 0.31
BCHE P06276 2/20 0.30
MAOA P21397 2/20 0.30
ACHE P22303 2/20 0.30
MAOB P27338 2/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL20163535 1.00 MEN1 (0.33) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL20173479 1.00 MEN1 (0.33) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL20173481 0.98 GPR183 (0.33) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL20173472 0.92 RAB9A (0.36) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL20173470 0.87 HPGD (0.38) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL20163419 0.87 GPR183 (0.32) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL20163407 0.87 GPR183 (0.32) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL20163425 0.87 GPR183 (0.32) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL20163403 0.87 GPR183 (0.32) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL20163447 0.86 LSS (0.36)

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 7 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-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
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 MEN1 3869/4885NPC1 421/4885ALDH1A1 1046/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 MEN1 4136/4885NPC1 555/4885ALDH1A1 608/4885

“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.