SCHEMBL20047225

SCHEMBL20047225

CC(C)C1CC(O)=CC1=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.34
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.30
TSHR P16473 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
SCHEMBL20043086 0.76 TLR4 (0.35) TLR4
SCHEMBL20133226 0.72 CA1 (0.36) TLR4ALDH1A1SMN1; SMN2MAPT
SCHEMBL16683947 0.70
SCHEMBL20341617 0.70 ALDH1A1 (0.41) TLR4ALDH1A1POLBALOX12HTT
SCHEMBL19287949 0.69 TLR4 (0.32) TLR4
SCHEMBL19455929 0.68 POLB (0.41) TLR4ALDH1A1POLBALOX12HTT
SCHEMBL8842628 0.67 TLR4 (0.35) TLR4
SCHEMBL20669530 0.65 CDC7 (0.33)
SCHEMBL7361709 0.65 KDM4E (0.36) ALDH1A1POLBHTTHSD17B10MAPT
SCHEMBL19454699 0.65 MAPK1 (0.36) ALDH1A1POLBALOX12HTTSMN1; SMN2

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 8 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-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-20220127255-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (GB) 2022-04-28 US disclosed
WO-2019193062-A1 SUBSTITUTED PYRROLIDINES AND THEIR USE ABBVIE S.Á.R.L (LU) 2019-10-10 WO disclosed
US-9981910-B2 Substituted pyrrolidines and methods of use ABBVIE S.Á.R.L. (LU) 2018-05-29 US disclosed
WO-2018065962-A1 SUBSTITUTED PYRROLIDINES AND THEIR USE IN THE TREATMENT OF CYSTIC FIIBROSIS AbbVie S.à.r.l. (LU) 2018-04-12 WO disclosed
WO-2018065921-A1 SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS ABBVIE S.Á.R.L. (LU) 2018-04-12 WO 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 (3 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-20220127255-A1 HERBICIDAL COMPOUNDS DDT, HDHD5, HPD TLR4 4664/4885ALDH1A1 117/4885POLB 2791/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 TLR4 1459/4885ALDH1A1 919/4885POLB 2720/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 TLR4 1459/4885ALDH1A1 919/4885POLB 2720/4885

“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.