SCHEMBL19640616

SCHEMBL19640616

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nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.67
▸ MAPT P10636 5/20 0.67
▸ FAAH O00519 1/20 0.54
▸ CYP19A1 P11511 4/20 0.51
▸ PPARG P37231 3/20 0.51
▸ OXER1 Q8TDS5 3/20 0.51
▸ RXRA P19793 2/20 0.51
▸ FFAR1 O14842 2/20 0.51
▸ CNR1 P21554 3/20 0.50
▸ CNR2 P34972 1/20 0.48
▸ F7 P08709 3/20 0.45
▸ F3 P13726 3/20 0.45
▸ PTGS1 P23219 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ PPARD Q03181 2/20 0.45
▸ PPARA Q07869 2/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALOX15 P16050 2/20 0.45

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
SCHEMBL21602783 1.00 ALDH1A1 (0.67) ALDH1A1MAPTFAAHCYP19A1PPARG
SCHEMBL19640617 1.00 ALDH1A1 (0.67) ALDH1A1MAPTFAAHCYP19A1PPARG
SCHEMBL15750208 0.92 ALDH1A1 (0.56) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL19640520 0.87 ALDH1A1 (0.57) ALDH1A1MAPTFAAHCYP19A1PPARG
SCHEMBL19640519 0.87 ALDH1A1 (0.57) ALDH1A1MAPTFAAHCYP19A1PPARG
SCHEMBL19640644 0.87 ALDH1A1 (0.57) ALDH1A1MAPTFAAHCYP19A1PPARG
SCHEMBL13745038 0.85 ALDH1A1 (0.67) ALDH1A1MAPTFAAHCYP19A1PPARG
SCHEMBL15741349 0.85 MAPT (0.47) ALDH1A1MAPTFAAHCYP19A1PPARG
SCHEMBL15741348 0.85 MAPT (0.47) ALDH1A1MAPTFAAHCYP19A1PPARG
SCHEMBL15741347 0.85 MAPT (0.47) ALDH1A1MAPTFAAHCYP19A1PPARG

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-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CATABASIS PHARMACEUTICALS, INC. 2017-11-30 — — 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-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CPT2, FABP1, ACAA2 ALDH1A1 1220/4885MAPT 867/4885FAAH 307/4885

“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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