SCHEMBL20043086

SCHEMBL20043086

CC1=CC(=O)C(C(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.35

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
Piperitone SCHEMBL111913 0.78 TLR4 (0.40) TLR4
(-)-Piperitone SCHEMBL3508682 0.78 TLR4 (0.40) TLR4
(-)-Piperitone SCHEMBL1248697 0.78 TLR4 (0.40) TLR4
SCHEMBL20047225 0.76 TLR4 (0.34) TLR4
SCHEMBL19287949 0.75 TLR4 (0.32) TLR4
SCHEMBL20133226 0.74 CA1 (0.36) TLR4
SCHEMBL15418676 0.72 USP2 (0.33)
SCHEMBL14535145 0.71
SCHEMBL12646071 0.71
SCHEMBL31391968 0.70 TAS2R46 (0.41) TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-9981910-B2 Substituted pyrrolidines and methods of use ABBVIE S.Á.R.L. (LU) 2018-05-29 US disclosed
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 US disclosed
US-20180099932-A1 Substituted Pyrrolidines and Methods of Use GALAPAGOS NV (BE) 2018-04-12 US disclosed
US-20180099931-A1 Substituted Pyrrolidines and Methods of Use ABBVIE S.Á.R.L. (LU) 2018-04-12 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 (4 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-20180099931-A1 Substituted Pyrrolidines and Methods of Use CFTR, PKD1, PKD2 TLR4 1417/4885
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 TLR4 4774/4885
US-20180099932-A1 Substituted Pyrrolidines and Methods of Use CFTR, PKD1, PKD2 TLR4 1632/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 TLR4 1459/4885

“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.