SCHEMBL18456901

SCHEMBL18456901

C=CC(=O)OCC1(C)CC(C)(c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.43
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TET3 O43151 1/20 0.34
FBXL19 Q6PCT2 1/20 0.34
CXXC5 Q7LFL8 1/20 0.34
TET1 Q8NFU7 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
CXXC4 Q9H2H0 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
GAA P10253 1/20 0.34
OPRM1 P35372 5/20 0.33
TSHR P16473 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
SLC6A4 P31645 2/20 0.33
LMNA P02545 1/20 0.33
SLC22A1 O15245 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL18457274 0.80 MEN1 (0.37) KMT2AMEN1GAAOPRM1TSHR
SCHEMBL18567148 0.79 LMNA (0.40) KMT2AMEN1GAAOPRM1OPRD1
SCHEMBL28226362 0.75 THRB (0.44) THRBKMT2AMEN1TET3FBXL19
SCHEMBL1357135 0.74 THRB (0.45) THRBKMT2ATET3FBXL19CXXC5
SCHEMBL1357941 0.71 THRB (0.43) THRBKMT2AMEN1TET3FBXL19
SCHEMBL28357984 0.70 THRB (0.43) THRBKMT2ATET3FBXL19CXXC5
SCHEMBL18457115 0.70 MEN1 (0.35) KMT2AMEN1GAAOPRM1TSHR
SCHEMBL27778682 0.70 TSHR (0.42) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL18456805 0.69 GAA (0.37) KMT2AMEN1GAAOPRM1TSHR
SCHEMBL13231932 0.68 TSHR (0.41) THRBKMT2AMEN1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407378-B2 Compound, and flavor and/or fragrance composition containing said compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-09-10 US disclosed
US-20170029358-A1 NOVEL COMPOUND, AND FLAVOR AND/OR FRAGRANCE COMPOSITION CONTAINING SAID COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-02-02 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-20170029358-A1 NOVEL COMPOUND, AND FLAVOR AND/OR FRAGRANCE COMPOSITION CONTAINING SAID COMPOUND TAS2R5, TAS2R1, TAS2R20 THRB 1332/4885KMT2A 3497/4885MEN1 1238/4885
US-10407378-B2 Compound, and flavor and/or fragrance composition containing said compound OR10J3, TAS2R5, TAS2R1 THRB 834/4885KMT2A 3195/4885MEN1 474/4885

“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.