SCHEMBL31349914

SCHEMBL31349914

CCCCC(CC)COC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ CYP3A4 P08684 4/20 0.50
▸ CA2 P00918 1/20 0.50
▸ LMNA P02545 4/20 0.46
▸ TSHR P16473 5/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ ATM Q13315 1/20 0.46
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ PRSS3 P35030 1/20 0.45
▸ HSD17B10 Q99714 2/20 0.43
▸ RECQL P46063 1/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ PPOX P50336 2/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL29908513 0.87 ALDH1A1 (0.69) ALDH1A1MAPK1CYP3A4CA2LMNA
SCHEMBL15810368 0.87 ALDH1A1 (0.69) ALDH1A1MAPK1CYP3A4CA2LMNA
SCHEMBL15810353 0.87 ALDH1A1 (0.69) ALDH1A1MAPK1CYP3A4CA2LMNA
SCHEMBL31349870 0.85 TDP1 (0.46) ALDH1A1MAPK1CYP3A4CA2LMNA
SCHEMBL6440730 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1CYP3A4CA2LMNA
SCHEMBL29777555 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1CYP3A4CA2LMNA
SCHEMBL11832150 0.80 PPOX (0.45) ALDH1A1MAPK1CYP3A4LMNATSHR
SCHEMBL5933782 0.80 ALDH1A1 (0.77) ALDH1A1MAPK1CYP3A4CA2LMNA
SCHEMBL19253806 0.79 ALDH1A1 (0.52) ALDH1A1MAPK1CYP3A4CA2LMNA
SCHEMBL31349915 0.77 PPOX (0.45) ALDH1A1LMNATSHRTDP1HSD17B10

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-20250024837-A1 PESTICIDE SYSTEM BANISH, MICHELE 2025-01-23 — — 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-20250024837-A1 PESTICIDE SYSTEM ACHE, PFAS, FPGS ALDH1A1 3501/4885MAPK1 4191/4885CYP3A4 89/4885

“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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