SCHEMBL22115476

SCHEMBL22115476

CC(=O)C12CCC(C)CC1C[C@H](C)CC2

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 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
SCHEMBL22163353 1.00 TLR4 (0.30) TLR4
SCHEMBL22163315 0.85
SCHEMBL22115473 0.85
SCHEMBL22115466 0.77 ALDH1A1 (0.31)
SCHEMBL22115469 0.77 ALDH1A1 (0.31)
SCHEMBL22163351 0.75 HSD11B1 (0.32)
SCHEMBL22115471 0.75 HSD11B1 (0.32)
SCHEMBL15116809 0.74
SCHEMBL18971821 0.74 EPHX1 (0.33)
SCHEMBL13863987 0.69 PTPN1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12234206-B2 Bi- and tricyclic compounds for use as aroma chemicals BASF SE (DE) 2025-02-25 US disclosed
US-20220064095-A1 BI- AND TRICYCLIC COMPOUNDS FOR USE AS AROMA CHEMICALS P2 SCIENCE INC. 2022-03-03 US disclosed
EP-3898564-A1 BI- AND TRICYCLIC COMPOUNDS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2021-10-27 EP disclosed
WO-2020127305-A1 BI- AND TRICYCLIC COMPOUNDS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2020-06-25 WO disclosed
WO-2020127305-A1 BI- AND TRICYCLIC COMPOUNDS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2020-06-25 WO disclosed
EP-3670488-A1 BI- AND TRICYCLIC KETONES FOR USE AS AROMA CHEMICALS BASF SE (DE) 2020-06-24 EP disclosed
EP-3670488-A1 BI- AND TRICYCLIC KETONES FOR USE AS AROMA CHEMICALS BASF SE (DE) 2020-06-24 EP 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-12234206-B2 Bi- and tricyclic compounds for use as aroma chemicals CHRM1, C1S, C1R TLR4 1822/4885
US-20220064095-A1 BI- AND TRICYCLIC COMPOUNDS FOR USE AS AROMA CHEMICALS CHRM1, C1S, C1R TLR4 1878/4885

“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.