SCHEMBL9945944

SCHEMBL9945944

CCOc1ccc(C(C)C)cc1C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
CYP3A4 P08684 1/20 0.57
CA9 Q16790 1/20 0.47
CREBBP Q92793 2/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ABCB1 P08183 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL24413627 0.87 TSHR (0.53) TSHRBCHEACHEHSP90AA1HSP90AB1
SCHEMBL24371397 0.87 CYP3A4 (0.57) TSHRCYP3A4CA9CREBBPBCHE
SCHEMBL9061064 0.81 HSP90AA1 (0.41) TSHRCYP3A4BCHEACHEPTGDR2
SCHEMBL26723819 0.81 HPGD (0.49) CA9ACHEHSP90AA1HSP90AB1ALDH1A1
SCHEMBL3065130 0.78 CYP3A4 (0.62) TSHRCYP3A4CA9CREBBPPTGDR2
SCHEMBL10497899 0.78 CYP3A4 (0.68) TSHRCYP3A4CA9CREBBPPTGDR2
SCHEMBL10713147 0.78 SMN1; SMN2 (0.44) TSHRALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL683930 0.77 ALDH1A1 (0.50) TSHRBCHEACHEALDH1A1SMN1; SMN2
SCHEMBL3165420 0.77 CYP3A4 (0.61) TSHRCYP3A4CA9CREBBPPTGDR2
SCHEMBL13064184 0.77 PTGDR2 (0.71) TSHRCYP3A4CA9CREBBPPTGDR2

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-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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 (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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 TSHR 1441/4885CYP3A4 3867/4885CA9 4866/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS TSHR 2355/4885CYP3A4 1291/4885CA9 2269/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS TSHR 2355/4885CYP3A4 1291/4885CA9 2269/4885

“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.