SCHEMBL20682925

SCHEMBL20682925

CCCCO[C@@H](C)C(OC(=O)[C@H](C)N)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ ATM Q13315 1/20 0.34
▸ LMNA P02545 4/20 0.34
▸ TSHR P16473 4/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ SLC15A1 P46059 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ RNASEL Q05823 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL17901021 1.00 ALDH1A1 (0.36) ALDH1A1ATMLMNATSHRCYP1A2
SCHEMBL17901019 0.95 NAAA (0.36) ALDH1A1LMNATSHRCTSKMAPT
SCHEMBL20682971 0.95 NAAA (0.36) ALDH1A1LMNATSHRCTSKMAPT
SCHEMBL20682885 0.90 — —
SCHEMBL17901324 0.90 — —
SCHEMBL17900988 0.90 — —
SCHEMBL20682955 0.82 CHRNB2 (0.32) —
SCHEMBL17901013 0.82 CHRNB2 (0.32) —
SCHEMBL17901330 0.82 — —
SCHEMBL20682778 0.82 — —

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-10188109-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-01-29 — — 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-10188109-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 ALDH1A1 1350/4885ATM 4694/4885LMNA 3069/4885

“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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