SCHEMBL20163498

SCHEMBL20163498

O=C(O)NCCCOc1ccc(I)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
GABRA5 P31644 3/20 0.38
RECQL P46063 1/20 0.37
MAPT P10636 1/20 0.36
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PAICS P22234 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ACACB O00763 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
FAAH O00519 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 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
SCHEMBL18260901 0.95 MTNR1A (0.37) L3MBTL1GABRA5MAPTEPHX2ALDH1A1
SCHEMBL16973094 0.82 L3MBTL1 (0.39) L3MBTL1GABRA5RECQLMAPTEPHX2
SCHEMBL20173482 0.81 CA12 (0.50) GABRA5MEN1KMT2A
SCHEMBL22150204 0.78 ITK (0.40) ALDH1A1
SCHEMBL21383973 0.78 NPC1 (0.45) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL16973035 0.77 RAB9A (0.48) L3MBTL1GABRA5MAPTALDH1A1MEN1
SCHEMBL16973033 0.77 RAB9A (0.48) L3MBTL1GABRA5MAPTALDH1A1MEN1
SCHEMBL25357694 0.77 KDM4E (0.45) L3MBTL1GABRA5MAPTEPHX2ALDH1A1
SCHEMBL15019122 0.77 ALDH1A1 (0.45) L3MBTL1RECQLMAPTALDH1A1MEN1
SCHEMBL18289997 0.76 CA12 (0.49) L3MBTL1GABRA5ACACB

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 L3MBTL1 1911/4885GABRA5 761/4885RECQL 4446/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 L3MBTL1 1848/4885GABRA5 789/4885RECQL 4281/4885

“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.