SCHEMBL31755653

SCHEMBL31755653

CCc1cccc(-n2nnc(C(=O)O)c2C2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
NFE2L2 Q16236 9/20 0.41
KEAP1 Q14145 6/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESRRA P11474 1/20 0.39
MGLL Q99685 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL30808866 0.87 TP53 (0.55) TP53ALOX12HTTMAPTPOLB
SCHEMBL31755892 0.82 NR1I2 (0.42) TP53HTTMAPTLMNAPOLB
SCHEMBL3491869 0.82 HTT (0.58) TP53ALOX12HTTNFE2L2KEAP1
SCHEMBL31755988 0.76 DCTPP1 (0.51) TP53ALOX12HTTNFE2L2KEAP1
SCHEMBL31755652 0.75 HTT (0.49) TP53ALOX12HTTNFE2L2KEAP1
SCHEMBL31755714 0.73 CA1 (0.49) TP53ALOX12HTTNFE2L2KEAP1
SCHEMBL31756152 0.72 CA1 (0.37) HTTNFE2L2KEAP1POLBGAA
SCHEMBL30808851 0.71 HTT (0.41) TP53ALOX12HTTNFE2L2KEAP1
SCHEMBL30808870 0.70 HTT (0.50) TP53ALOX12HTTNFE2L2KEAP1
SCHEMBL3463266 0.69 HTT (0.41) HTTNFE2L2KEAP1GAA

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-20260001871-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR D ESCIENT PHARMACEUTICALS INC (US) 2026-01-01 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-20260001871-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR D MRGPRX2, MC2R, MRGPRX1 TP53 4481/4885ALOX12 4328/4885HTT 2816/4885

“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.