SCHEMBL20163396

SCHEMBL20163396

O=C1CCCN1CCOc1ccc(I)cn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.46
EGFR P00533 1/20 0.42
PDK2 Q15119 3/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
CTSS P25774 1/20 0.39
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
KIT P10721 2/20 0.38
LTA4H P09960 1/20 0.38
LIPE Q05469 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 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
SCHEMBL22336931 0.84 MEN1 (0.52) MEN1KMT2APOLBEGFRPDK2
SCHEMBL2227979 0.84 KMT2A (0.52) MEN1KMT2APOLBEGFRPDK2
SCHEMBL1926584 0.84 KMT2A (0.52) MEN1KMT2APOLBEGFRPDK2
SCHEMBL20163507 0.80 POLB (0.56) MEN1KMT2APOLBPDK2CCNC
SCHEMBL3244902 0.80 MEN1 (0.48) MEN1KMT2APOLBEGFRPDK2
SCHEMBL23405901 0.78 MEN1 (0.52) MEN1KMT2APOLBEGFRPDK2
SCHEMBL29744200 0.78 MEN1 (0.52) MEN1KMT2APOLBEGFRPDK2
SCHEMBL4590127 0.77 KMT2A (0.51) MEN1KMT2APOLBEGFRPDK2
SCHEMBL3002361 0.77 LTA4H (0.59) MEN1KMT2ALTA4HHRH3HTR2A
SCHEMBL20255478 0.76 POLB (0.52) MEN1KMT2APOLBEGFRPDK2

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 3869/4885KMT2A 3295/4885POLB 4378/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 MEN1 4136/4885KMT2A 2884/4885POLB 4568/4885

“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.