SCHEMBL25342107

SCHEMBL25342107

Cc1c(CC(C)O)cnn(C2CCCCO2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP4F2 P78329 4/20 0.39
▸ CYP4A11 Q02928 4/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.37
▸ GAA P10253 1/20 0.34
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ RET P07949 3/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ FGFR1 P11362 1/20 0.31
▸ ATR Q13535 1/20 0.31

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
SCHEMBL31104035 0.88 ALDH1A1 (0.38) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL31386650 0.83 CYP4F2 (0.35) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL25341195 0.82 RXRA (0.42) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL31104171 0.81 ALDH1A1 (0.40) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL31104047 0.81 ALDH1A1 (0.34) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL31103919 0.79 ALDH1A1 (0.40) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL15666220 0.76 ALDH1A1 (0.46) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL24177147 0.75 ALDH1A1 (0.39) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL25918978 0.75 ALDH1A1 (0.42) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL31104494 0.74 ALDH1A1 (0.40) ALDH1A1POLBLMNACYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250154139-A1 PYRIDAZINONE COMPOUNDS AS TRPA1 INHIBITORS D. E. SHAW RESEARCH, LLC 2025-05-15 — — US disclosed
EP-4472624-A2 PYRIDAZINONE COMPOUNDS AS TRPA1 INHIBITORS D.E. Shaw Research, LLC (US) 2024-12-11 — — EP disclosed
CN-118973564-A Pyridazinone compounds as TRPA1 inhibitors D·E·萧尔研究有限责任公司 2024-11-15 — — CN disclosed
WO-2023150591-A2 PYRIDAZINONE COMPOUNDS AS TRPA1 INHIBITORS D.E. SHAW RESEARCH, LLC (US) 2023-08-10 — — WO disclosed
WO-2023150591-A2 PYRIDAZINONE COMPOUNDS AS TRPA1 INHIBITORS D.E. SHAW RESEARCH, LLC (US) 2023-08-10 — — 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-20250154139-A1 PYRIDAZINONE COMPOUNDS AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV5 ALDH1A1 538/4885POLB 4010/4885LMNA 1991/4885

“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.

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