SCHEMBL21028049

SCHEMBL21028049

CCC(C)C(OC)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.46
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX1 P07099 2/20 0.33
KDM4E B2RXH2 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MMP2 P08253 2/20 0.31
CA9 Q16790 2/20 0.31
TP53 P04637 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
SCHEMBL1069873 0.80 SHBG (0.35) SHBGALDH1A1CYP3A4CYP2C19
SCHEMBL28097624 0.79 SHBG (0.46) SHBGALDH1A1CYP3A4CYP2C19EPHX1
SCHEMBL16849192 0.78 SHBG (0.37) SHBGALDH1A1CYP3A4CYP2C19EPHX1
SCHEMBL27735555 0.75 ALDH1A1 (0.31) ALDH1A1CYP3A4CYP2C19
SCHEMBL29140266 0.75 SHBG (0.56) SHBGEPHX1KDM4ETP53
SCHEMBL9135907 0.74 TP53 (0.37) SHBGALDH1A1CYP3A4CYP2C19EPHX1
SCHEMBL28090709 0.73 SHBG (0.35) SHBGALDH1A1CYP3A4CYP2C19EPHX1
SCHEMBL28122488 0.73 SHBG (0.54) SHBGALDH1A1EPHX1KDM4ETP53
SCHEMBL20857211 0.71 APLNR (0.32) SHBGALDH1A1CYP3A4CYP2C19EPHX1
SCHEMBL21938074 0.71 SHBG (0.52) SHBGALDH1A1EPHX1KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] PHENEX PHARMACEUTICALS AG (DE) 2019-05-28 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 (1 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-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] RORA, RORB, RORC SHBG 567/4885ALDH1A1 671/4885CYP3A4 836/4885

“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.