SCHEMBL340079

SCHEMBL340079

Cc1ccc([SH](=O)=O)cc1.[Mg+2]Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CYP2A6 P11509 1/20 0.35
GAA P10253 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GSK3B P49841 1/20 0.33
MAPT P10636 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL13743035 0.92 ACHE (0.50) ACHETDP1ALDH1A1HPGDLMNA
Water SCHEMBL25409091 0.89 ACHE (0.47) ACHETDP1ALDH1A1HPGDLMNA
SCHEMBL29152107 0.89 ACHE (0.47) ACHETDP1ALDH1A1HPGDLMNA
SCHEMBL28724358 0.89 ACHE (0.47) ACHETDP1ALDH1A1HPGDLMNA
SCHEMBL29129737 0.82 ACHE (0.40) ACHETDP1ALDH1A1HPGDLMNA
SCHEMBL13703248 0.78 TEAD4 (0.52) ACHETDP1ALDH1A1HPGDLMNA
Dimethylformamide SCHEMBL28882249 0.77 CYP2A6 (0.39) ACHETDP1ALDH1A1HPGDLMNA
SCHEMBL14085594 0.76
SCHEMBL13703251 0.73 TEAD4 (0.47) ACHETDP1ALDH1A1HPGDLMNA
SCHEMBL14145130 0.70 ACHE (0.44) ACHETDP1ALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368127-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-11-07 US disclosed
WO-2023192375-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. (US) 2023-10-05 WO disclosed
WO-2023043836-A1 HSD17B13 INHIBITORS AND USES THEREOF METACRINE, INC. (US) 2023-03-23 WO disclosed
US-8097348-B2 Pi-conjugated organoboron polymers in thin-film organic electronic devices TDA RESEARCH, INC. (US) 2012-01-17 US disclosed
US-20090127547-A1 PI-CONJUGATED ORGANOBORON POLYMERS IN THIN-FILM ORGANIC ELECTRONIC DEVICES TDA RESEARCH, INC. 2009-05-21 US disclosed
WO-2007109629-A2 PI-CONJUGATED ORGANOBORON POLYMERS IN THIN-FILM ORGANIC ELECTRONIC DEVICES TDA RESEARCH, INC. (US) 2007-09-27 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 (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-20240368127-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 ACHE 3311/4885TDP1 1184/4885ALDH1A1 247/4885

“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.