SCHEMBL20163528

SCHEMBL20163528

CC1(C)OB(C(CC(F)(F)F)=C(B2OC(C)(C)C(C)(C)O2)c2ccc3c(cnn3C3CCCCO3)c2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.45
▸ RXRB P28702 1/20 0.45
▸ RXRG P48443 1/20 0.45
▸ CYP4F2 P78329 2/20 0.34
▸ CYP4A11 Q02928 2/20 0.34
▸ ATR Q13535 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 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
SCHEMBL20163527 1.00 RXRA (0.45) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL17845153 0.90 RXRA (0.48) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL17845154 0.90 RXRA (0.48) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20163591 0.84 CNR1 (0.33) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20163590 0.84 CNR1 (0.33) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL18260968 0.82 RXRA (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL18260970 0.82 RXRA (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL22321711 0.82 RXRA (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20163414 0.80 RXRA (0.45) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20163409 0.80 RXRA (0.45) RXRARXRBRXRGCYP4F2CYP4A11

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 4 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

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.

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