SCHEMBL5855950

SCHEMBL5855950

O=C(Cl)CCC(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.35
TP53 P04637 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
SCHEMBL9438220 0.89 TSHR (0.41) TSHRALDH1A1TP53
SCHEMBL8419645 0.85 ALDH1A1 (0.42) TSHRALDH1A1TP53
SCHEMBL1727128 0.85 TSHR (0.35) TSHRALDH1A1TP53
SCHEMBL9438217 0.84 TSHR (0.38) TSHRALDH1A1TP53
SCHEMBL28319606 0.83 ALDH1A1 (0.43) TSHRALDH1A1TP53
SCHEMBL1727544 0.83 THRB (0.34) TSHRALDH1A1TP53
SCHEMBL9438164 0.82 TSHR (0.36) TSHRALDH1A1TP53
SCHEMBL23294783 0.81 THRB (0.38) TSHRALDH1A1TP53
SCHEMBL3964350 0.81 THRB (0.38) TSHRALDH1A1TP53
SCHEMBL3695200 0.80 TSHR (0.35) TSHRALDH1A1TP53

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110023284-B Calixarene compound and curable composition DIC株式会社 2022-01-18 CN disclosed
US-11111225-B2 Calixarene compound and curable composition DIC CORPORATION (JP) 2021-09-07 US disclosed
US-20190276421-A1 CALIXARENE COMPOUND AND CURABLE COMPOSITION DIC CORPORATION (JP) 2019-09-12 US disclosed
US-7074819-B2 Benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-07-11 US disclosed
US-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA 2004-05-27 US disclosed
US-6645951-B1 Antiestrogens for treating breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-11 US disclosed
EP-1087959-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-04-04 EP disclosed
WO-1999065893-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1999-12-23 WO disclosed
US-4085099-A AZO DYES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-04-18 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 (3 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-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives NR5A1, SHBG, ESR2 TSHR 520/4885ALDH1A1 453/4885TP53 3309/4885
US-20190276421-A1 CALIXARENE COMPOUND AND CURABLE COMPOSITION CALU, CALCRL, CAPN1 TSHR 1059/4885ALDH1A1 1469/4885TP53 2950/4885
US-11111225-B2 Calixarene compound and curable composition CALU, CALCRL, CAPN1 TSHR 1059/4885ALDH1A1 1469/4885TP53 2950/4885

“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.