SCHEMBL30138409

SCHEMBL30138409

CCCCCN1C=Nc2cc(C(=O)O)ccc2C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.45
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
CNR2 P34972 2/20 0.39
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
PLA2G4B P0C869 1/20 0.38
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37

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
SCHEMBL5139855 0.77 ALDH1A1 (0.50) ALDH1A1HPGDKDM4E
SCHEMBL29687292 0.77 ALDH1A1 (0.50) ALDH1A1HPGDKDM4E
SCHEMBL9561185 0.67 MGLL (0.40) ALDH1A1HPGDGAAHSD17B10TP53
SCHEMBL29677813 0.66 ALDH1A1 (0.68) HCAR3ALDH1A1HPGDKDM4EGAA
SCHEMBL2804157 0.66 ALDH1A1 (0.68) HCAR3ALDH1A1HPGDKDM4EGAA
SCHEMBL29797781 0.66 MGLL (0.43) ALDH1A1HPGDGAAHSD17B10TP53
Terephthalic Acid SCHEMBL2944670 0.65 RARB (0.68) ALDH1A1TP53TSHRPLA2G4BRARB
Terephthalic Acid SCHEMBL1884274 0.65 RARB (0.68) ALDH1A1TP53TSHRPLA2G4BRARB
SCHEMBL4871445 0.65 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL3350732 0.65 DRD2 (0.59) HCAR3ALDH1A1

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-20230018423-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT AND/OR PREVENTION OF DISEASES AND DISORDERS MEDIATED BY NLRP3 YODA THERAPEUTICS INC. (TW) 2023-01-19 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-20230018423-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT AND/OR PREVENTION OF DISEASES AND DISORDERS MEDIATED BY NLRP3 NLRP3, NOD1, NLRP1 HCAR3 1122/4885ALDH1A1 957/4885HPGD 733/4885

“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.