SCHEMBL4915624

SCHEMBL4915624

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(C)C(=O)O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.83
▸ MAPT P10636 3/20 0.83
▸ SMN1; SMN2 Q16637 1/20 0.81
▸ SLC6A5 Q9Y345 1/20 0.81
▸ FAAH O00519 3/20 0.59
▸ F7 P08709 3/20 0.58
▸ F3 P13726 3/20 0.58
▸ CYP19A1 P11511 2/20 0.58
▸ PTGS1 P23219 2/20 0.58
▸ PPARG P37231 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ PPARD Q03181 2/20 0.58
▸ PPARA Q07869 2/20 0.58
▸ OXER1 Q8TDS5 2/20 0.58
▸ ADORA3 P0DMS8 1/20 0.58
▸ RXRA P19793 1/20 0.58
▸ CNR1 P21554 1/20 0.56
▸ BLM P54132 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ KCNK3 O14649 1/20 0.56

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
SCHEMBL4915636 1.00 ALDH1A1 (0.83) ALDH1A1MAPTSMN1; SMN2SLC6A5FAAH
SCHEMBL31026998 0.95 ALDH1A1 (0.81) ALDH1A1MAPTSMN1; SMN2SLC6A5FAAH
SCHEMBL1424460 0.94 ALDH1A1 (0.78) ALDH1A1MAPTSMN1; SMN2SLC6A5FAAH
SCHEMBL9652477 0.94 ALDH1A1 (0.78) ALDH1A1MAPTSMN1; SMN2SLC6A5FAAH
SCHEMBL4743544 0.94 ALDH1A1 (0.78) ALDH1A1MAPTSMN1; SMN2SLC6A5FAAH
SCHEMBL1424457 0.94 ALDH1A1 (0.78) ALDH1A1MAPTSMN1; SMN2SLC6A5FAAH
SCHEMBL1424458 0.94 ALDH1A1 (0.78) ALDH1A1MAPTSMN1; SMN2SLC6A5FAAH
SCHEMBL2409345 0.91 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2SLC6A5FAAH
SCHEMBL1584047 0.91 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2SLC6A5FAAH
SCHEMBL2450075 0.91 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2SLC6A5FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473045-B1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2016-08-17 — — EP claimed
US-20080200704-A1 PREPARATION OF AMINO ACID-FATTY ACID AMIDES MULTI FORMULATIONS LTD. (CA) 2008-08-21 — — 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-20080200704-A1 PREPARATION OF AMINO ACID-FATTY ACID AMIDES FABP2, FABP4, FABP1 ALDH1A1 1384/4885MAPT 3125/4885SMN1; SMN2 3834/4885

“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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