SCHEMBL20163415

SCHEMBL20163415

C[Si](C)(C)CCOCn1nc(F)c2cc(Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.47
NPC1 O15118 1/20 0.35
MAPT P10636 3/20 0.31
F2RL1 P55085 1/20 0.31
DNM1 Q05193 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DYRK1A Q13627 1/20 0.31
ELANE P08246 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP19A1 P11511 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL4312796 0.86 DGAT1 (0.43) DGAT1NPC1MAPTDYRK1AELANE
SCHEMBL2030421 0.85 DGAT1 (0.43) DGAT1NPC1MAPTDYRK1AELANE
SCHEMBL3355074 0.85 DGAT1 (0.43) DGAT1NPC1MAPTDYRK1AELANE
SCHEMBL23042316 0.84 DGAT1 (0.44) DGAT1NPC1MAPTDYRK1AELANE
SCHEMBL29612550 0.84 DGAT1 (0.42) DGAT1NPC1MAPTF2RL1DYRK1A
SCHEMBL28730648 0.84 DGAT1 (0.42) DGAT1NPC1MAPTF2RL1DYRK1A
SCHEMBL492060 0.83 ELANE (0.41) DGAT1NPC1ELANENPSR1
SCHEMBL15875510 0.81 DGAT1 (0.41) DGAT1NPC1ELANE
SCHEMBL30138980 0.81 DGAT1 (0.41) DGAT1NPC1SMN1; SMN2NPSR1
SCHEMBL28906224 0.81 DGAT1 (0.41) DGAT1NPC1SMN1; SMN2NPSR1

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 5 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
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 DGAT1 2294/4885NPC1 421/4885MAPT 3047/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 DGAT1 2042/4885NPC1 555/4885MAPT 3536/4885

“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.