SCHEMBL25932113

SCHEMBL25932113

C=CC(=O)OC(C=C)C(C)(CCCCC)CCCCC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
HPGD P15428 1/20 0.42
THRB P10828 4/20 0.37
THRA P10827 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
LMNA P02545 2/20 0.31
CES2 O00748 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 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
SCHEMBL18431534 0.93 TSHR (0.39) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL18743380 0.89 TSHR (0.41) TSHRHPGDTHRBTHRAALDH1A1
SCHEMBL19069273 0.86 TSHR (0.41) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL24690713 0.81 TSHR (0.42) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL18737306 0.80 TSHR (0.41) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL20927046 0.80 TSHR (0.41) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL18469790 0.79 TSHR (0.40) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL18897091 0.79 TSHR (0.38) TSHRHPGDTHRBLMNAALDH1A1
SCHEMBL5455576 0.76 TSHR (0.43) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL227180 0.75 TSHR (0.42) TSHRHPGDTHRBTHRAZDHHC20

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-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 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-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS TSHR 4752/4885HPGD 1795/4885THRB 3669/4885

“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.