SCHEMBL20163477

SCHEMBL20163477

Fc1nn(C2CCCCO2)c2ccc(I)cc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
ATR Q13535 12/20 0.33
RET P07949 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.31
ESR1 P03372 1/20 0.31
MAPT P10636 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
SCHEMBL22160453 0.85 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL20176296 0.85 CYP4F2 (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL767404 0.85 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL18295841 0.85 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21198696 0.85 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL15744178 0.85 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5809971 0.82 CYP4F2 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL28589805 0.82 CYP4F2 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25475385 0.81 CYP4F2 (0.37) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL10231506 0.81 RXRA (0.41) CYP4F2CYP4A11RXRARXRBRXRG

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 CYP4F2 3533/4885CYP4A11 2858/4885RXRA 544/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 CYP4F2 3398/4885CYP4A11 2420/4885RXRA 283/4885

“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.