SCHEMBL20163502

SCHEMBL20163502

Cc1nc(OCCO)ccc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.36
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
APP P05067 6/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
IKBKB O14920 1/20 0.33
NR1I2 O75469 1/20 0.33
MAOA P21397 1/20 0.32
IDO1 P14902 1/20 0.32
TTR P02766 1/20 0.32
NNMT P40261 1/20 0.31
LOX P28300 1/20 0.31
AOC3 Q16853 1/20 0.31

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
SCHEMBL20163483 0.82 KDM4E (0.38) IKBKBNNMT
SCHEMBL16809050 0.82 NPC1 (0.39) KMT2AALDH1A1RECQLGAAPDE2A
SCHEMBL20176674 0.81 THRB (0.44) THRBKMT2APIK3C3ALDH1A1RECQL
SCHEMBL18774086 0.72 NNMT (0.48) KMT2AALDH1A1NNMTPDE2APDE10A
SCHEMBL16805396 0.72 L3MBTL1 (0.49) ALDH1A1APPGAA
SCHEMBL20163378 0.70 RAB9A (0.57) KMT2AALDH1A1
SCHEMBL10842869 0.70 KMT2A (0.51) THRBKMT2AALDH1A1RECQLGAA
SCHEMBL13213589 0.70 HTR7 (0.35) THRBKMT2AALDH1A1IKBKBPDE2A
SCHEMBL24343308 0.70 ALDH1A1 (0.54) THRBKMT2AALDH1A1RECQLPIK3CD
SCHEMBL12635072 0.69 TSHR (0.44) KMT2AALDH1A1IDO1TTR

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 THRB 189/4885KMT2A 3295/4885PIK3C3 3022/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 THRB 153/4885KMT2A 2884/4885PIK3C3 3444/4885

“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.