SCHEMBL20163398

SCHEMBL20163398

FC(F)(F)CC#Cc1ccc2c(cnn2C2CCCCO2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
GRIN2B Q13224 3/20 0.38
CYP4F2 P78329 5/20 0.36
CYP4A11 Q02928 5/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
ATR Q13535 5/20 0.33
TNKS O95271 2/20 0.32
EGFR P00533 1/20 0.31
RORC P51449 1/20 0.31
GRIN1 Q05586 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
SCHEMBL767344 0.86 RXRA (0.52) RXRARXRBRXRGGRIN2BCYP4F2
SCHEMBL767362 0.86 RXRA (0.53) RXRARXRBRXRGGRIN2BCYP4F2
SCHEMBL767203 0.86 RXRA (0.56) RXRARXRBRXRGGRIN2BCYP4F2
SCHEMBL767127 0.86 RXRA (0.51) RXRARXRBRXRGGRIN2BCYP4F2
SCHEMBL767413 0.85 RXRA (0.53) RXRARXRBRXRGGRIN2BCYP4F2
SCHEMBL767482 0.85 RXRA (0.53) RXRARXRBRXRGGRIN2BCYP4F2
SCHEMBL767409 0.84 RXRA (0.52) RXRARXRBRXRGGRIN2BCYP4F2
SCHEMBL767602 0.84 RXRA (0.52) RXRARXRBRXRGGRIN2BCYP4F2
SCHEMBL767635 0.84 RXRA (0.54) RXRARXRBRXRGGRIN2BCYP4F2
SCHEMBL767359 0.83 RXRA (0.51) RXRARXRBRXRGGRIN2BCYP4F2

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
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-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 RXRA 544/4885RXRB 499/4885RXRG 673/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 RXRA 283/4885RXRB 261/4885RXRG 305/4885

“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.