SCHEMBL26316129

SCHEMBL26316129

COc1cc(C)ccc1-c1occc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
NQO1 P15559 3/20 0.35
POR P16435 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 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
SCHEMBL25401356 0.80 CRHR1 (0.40) L3MBTL1CRHR1
SCHEMBL23567062 0.79 ADRA1D (0.50) ALDH1A1CYP3A4SMN1; SMN2TSHRHSD17B10
SCHEMBL26316367 0.77 PTGS2 (0.34) POLBSMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL9938324 0.77 ACHE (0.68) ACHEALDH1A1CYP3A4POLBSMN1; SMN2
SCHEMBL13393531 0.75 NQO1 (0.37) ALDH1A1NQO1PORMEN1HPGD
SCHEMBL16542335 0.74 ACHE (0.58) ACHEALDH1A1CYP3A4POLBSMN1; SMN2
SCHEMBL26273690 0.71 HTR2A (0.35) ALDH1A1HSD17B10HPGD
SCHEMBL13481179 0.70 IMPDH2 (0.49) ACHEALDH1A1CYP3A4POLBSMN1; SMN2
SCHEMBL10137021 0.70 ACHE (0.58) ACHEALDH1A1CYP3A4SMN1; SMN2MAPT
SCHEMBL13069497 0.69 ACHE (0.52) ACHEALDH1A1CYP3A4SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295113-A1 NLRP3 MODULATORS ZOMAGEN BIOSCIENCES LTD 2023-09-21 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 (1 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-20230295113-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 ACHE 4865/4885ALDH1A1 2633/4885CYP3A4 1539/4885

“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.