SCHEMBL20163445

SCHEMBL20163445

COCCNC(=O)/C=C/CBr

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.48
GLA P06280 2/20 0.48
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
THRB P10828 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL22109111 0.83 HPGD (0.49) HPGDGLACYP1A2KDM4EL3MBTL1
SCHEMBL18810404 0.81 HPGD (0.50) HPGDGLACYP1A2KDM4EL3MBTL1
SCHEMBL26700145 0.81 HPGD (0.50) HPGDGLACYP1A2KDM4EL3MBTL1
SCHEMBL24492169 0.79 HPGD (0.46) HPGDGLACYP1A2KDM4EL3MBTL1
SCHEMBL619181 0.79 ALDH1A1 (0.42) CNR1SMN1; SMN2ALDH1A1
SCHEMBL619182 0.79 ALDH1A1 (0.42) CNR1SMN1; SMN2ALDH1A1
SCHEMBL29470599 0.79 HPGD (0.51) HPGDGLACYP1A2KDM4EL3MBTL1
SCHEMBL14559155 0.77 HPGD (0.50) HPGDGLACYP1A2KDM4EL3MBTL1
SCHEMBL14980473 0.77 ALDH1A1 (0.51) HPGDGLACYP1A2CYP2C19ALDH1A1
SCHEMBL20163331 0.76 BACE1 (0.32) HPGDGLA

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 6 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
CN-110300751-A Tetra-substituted alkene compounds and their use for treating breast cancer 卫材 R&D 管理有限公司 2019-10-01 CN 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 HPGD 3422/4885GLA 1179/4885CYP1A2 2684/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 HPGD 2899/4885GLA 928/4885CYP1A2 1789/4885

“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.