SCHEMBL22990872

SCHEMBL22990872

CCC1(C)C(OC(C)=O)CC(C)C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
HSD11B1 P28845 1/20 0.31
CYP3A4 P08684 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
ABCB1 P08183 2/20 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
SCHEMBL19788602 0.85 TSHR (0.31) TSHRCYP3A4
SCHEMBL21470017 0.81 HPGD (0.34) TSHR
SCHEMBL23569446 0.80 TSHR (0.36) TSHRHSD11B1CYP3A4GABRA1GABRB2
SCHEMBL11161495 0.74 TSHR (0.37) TSHRHSD11B1CYP3A4GABRA1GABRB2
SCHEMBL22858362 0.73 LMNA (0.52) TSHRCYP3A4
SCHEMBL21892002 0.72 CYP2C19 (0.57) ABCB1
SCHEMBL19504212 0.70
SCHEMBL21470027 0.70 HPGD (0.33) TSHR
SCHEMBL18264956 0.69 CYP3A4 (0.39) TSHRHSD11B1CYP3A4ABCB1
SCHEMBL14871776 0.68 CYP3A4 (0.32) TSHRHSD11B1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220195348-A1 TREATMENT COMPOSITIONS COMPRISING PLANT ROSIN MATERIAL AND CERTAIN PERFUME RAW MATERIALS THE PROCTER & GAMBLE COMPANY 2022-06-23 US disclosed
EP-3793514-B1 FRAGRANCE COMPOSITIONS GIVAUDAN SA (CH) 2022-04-20 EP disclosed
US-20210045985-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2021-02-18 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 (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-20210045985-A1 ORGANIC COMPOUNDS OR51E2, OR10J3, ELOC TSHR 4786/4885HSD11B1 1213/4885CYP3A4 25/4885

“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.