SCHEMBL20475475

SCHEMBL20475475

CC(C)(C)c1cc(C=O)cc(C(C)(C)C)c1OCCCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.42
TSHR P16473 1/20 0.40
GPR55 Q9Y2T6 1/20 0.39
FFAR4 Q5NUL3 5/20 0.37
FFAR1 O14842 2/20 0.37
ELANE P08246 1/20 0.36
CD69 Q07108 1/20 0.36
RXRA P19793 2/20 0.36
PPARG P37231 1/20 0.36
CYP3A4 P08684 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36
SCN5A Q14524 1/20 0.36
PPARA Q07869 1/20 0.35
ALB P02768 1/20 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
SCHEMBL31621192 0.79 THRA (0.39) RXRAPPARGCYP3A4
SCHEMBL28634307 0.78 ALDH1A1 (0.49) VCAM1TSHRFFAR4FFAR1
SCHEMBL20982803 0.78 HRH3 (0.41) CYP3A4
SCHEMBL20475470 0.77 TSHR (0.40) TSHRFFAR4FFAR1RXRAPPARG
SCHEMBL7164671 0.76 TSHR (0.45) TSHRFFAR4FFAR1PPARGCYP3A4
Elsibucol SCHEMBL6002307 0.75 VCAM1 (0.73) VCAM1GPR55
SCHEMBL13449878 0.75 VCAM1 (0.59) VCAM1TSHRFFAR4FFAR1
SCHEMBL5984227 0.73 GABBR2 (0.34) TSHRGPR55CYP3A4
SCHEMBL7568496 0.72 TUBB1 (0.51) TSHRFFAR4PPARA
SCHEMBL8347943 0.72 VCAM1 (0.56) VCAM1TSHRGPR55FFAR4

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-12527788-B2 Defining RNA-small molecule affinity landscapes enables design of a small molecule inhibitor of an oncogenic non-coding RNA UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2026-01-20 US disclosed
US-20240293398-A1 Defining RNA-Small Molecule Affinity Landscapes Enables Design of a Small Molecule Inhibitor... UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-09-05 US disclosed
WO-2018151810-A1 DEFINING RNA-SMALL MOLECULE AFFINITY LANDSCAPES ENABLES DESIGN OF A SMALL MOLECULAR INHIBITOR OF AN ONCOGENIC NON-CODING RNA THE SCRIPPS RESEARCH INSTITUTE (US) 2018-08-23 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 (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-12527788-B2 Defining RNA-small molecule affinity landscapes enables design of a small molecule inhibitor of an oncogenic non-coding RNA STUB1, TARBP1, STK16 VCAM1 3159/4885TSHR 1439/4885GPR55 4565/4885
US-20240293398-A1 Defining RNA-Small Molecule Affinity Landscapes Enables Design of a Small Molecule Inhibitor... TARBP1, STK16, STK38 VCAM1 2996/4885TSHR 1639/4885GPR55 4439/4885

“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.