SCHEMBL1505166

SCHEMBL1505166

COCCOc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
TSHR P16473 1/20 0.60
MRGPRX4 Q96LA9 4/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
THRB P10828 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
PTGER1 P34995 1/20 0.46
SGMS2 Q8NHU3 1/20 0.46
S1PR4 O95977 1/20 0.46

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
SCHEMBL1505088 0.96 GAA (0.56) GAATSHRMRGPRX4KDM4ELMNA
SCHEMBL3199685 0.88 GAA (0.55) GAATSHRMRGPRX4KDM4ELMNA
SCHEMBL11370707 0.88 LMNA (0.49) GAATSHRKDM4ELMNAALDH1A1
SCHEMBL19859014 0.88 TSHR (0.47) GAATSHRMRGPRX4KDM4EALDH1A1
SCHEMBL1505120 0.86 S1PR4 (0.52) MRGPRX4KDM4ELMNAALDH1A1MAPT
SCHEMBL12505380 0.86 LMNA (0.48) GAATSHRKDM4ELMNAALDH1A1
SCHEMBL20522075 0.86 GAA (0.61) GAATSHRMRGPRX4LMNAALDH1A1
SCHEMBL4359950 0.85 TSHR (0.53) GAATSHRKDM4ELMNAALDH1A1
SCHEMBL1505156 0.85 GAA (0.57) GAATSHRMRGPRX4KDM4EALDH1A1
SCHEMBL1153890 0.84 GAA (0.60) GAATSHRMRGPRX4KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116041230-B NLRP3 inflammation small inhibitor and preparation method and application thereof 中国海洋大学 2024-03-19 CN disclosed
CN-116041230-A NLRP3 inflammation small inhibitor and preparation method and application thereof 中国海洋大学 2023-05-02 CN disclosed
WO-2011027156-A1 BENZODIAZEPINE DERIVATIVES FOR TREATING HEPATITIS C INFECTION ARROW THERAPEUTICS LIMITED (GB) 2011-03-10 WO disclosed
US-20110059043-A1 CHEMICAL COMPOUNDS ARROW THERAPEUTICS LIMITED (GB) 2011-03-10 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-20110059043-A1 CHEMICAL COMPOUNDS CYP2E1, CNR1, CYP3A5 GAA 2290/4885TSHR 598/4885MRGPRX4 415/4885

“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.