SCHEMBL23924813

SCHEMBL23924813

CC(C)CCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.66
▸ MEN1 O00255 5/20 0.64
▸ KMT2A Q03164 5/20 0.64
▸ MAPK1 P28482 4/20 0.64
▸ LMNA P02545 4/20 0.64
▸ MAPT P10636 4/20 0.64
▸ GMNN O75496 3/20 0.64
▸ NPSR1 Q6W5P4 3/20 0.64
▸ TP53 P04637 3/20 0.64
▸ TSHR P16473 3/20 0.64
▸ HSP90AA1 P07900 2/20 0.64
▸ BLM P54132 2/20 0.64
▸ NR1H4 Q96RI1 2/20 0.64
▸ CYP2C9 P11712 2/20 0.64
▸ HIF1A Q16665 2/20 0.64
▸ GLA P06280 1/20 0.62
▸ PMP22 Q01453 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ SLC25A20 O43772 3/20 0.48
▸ CYP2D6 P10635 2/20 0.48

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
SCHEMBL29193534 0.86 MEN1 (0.67) CYP1A2MEN1KMT2AMAPK1LMNA
SCHEMBL22116167 0.85 CYP1A2 (0.82) CYP1A2MEN1KMT2AMAPK1LMNA
SCHEMBL12137165 0.85 LMNA (0.64) CYP1A2MEN1KMT2AMAPK1LMNA
Hydrochloric Acid SCHEMBL9465312 0.83 LMNA (0.67) CYP1A2MEN1KMT2AMAPK1LMNA
Bromide SCHEMBL6143111 0.83 LMNA (0.62) CYP1A2MEN1KMT2AMAPK1LMNA
SCHEMBL26640789 0.83 CYP1A2 (0.69) CYP1A2MEN1KMT2AMAPK1LMNA
SCHEMBL2517754 0.83 CYP1A2 (0.69) CYP1A2MEN1KMT2AMAPK1LMNA
Butyryl-Carnitine SCHEMBL12137158 0.83 CYP1A2 (0.79) CYP1A2MEN1KMT2AMAPK1LMNA
Butyryl-Carnitine SCHEMBL12283483 0.83 CYP1A2 (0.79) CYP1A2MEN1KMT2AMAPK1LMNA
SCHEMBL22116165 0.82 CYP1A2 (0.77) CYP1A2MEN1KMT2AMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12213956-B2 Method of treating fatty acid oxidation disorders using omega3/omega6 unsaturated or branched chain fatty acids University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-02-04 — — US disclosed
US-11844775-B2 Method of treating fatty acid oxidation disorders using Omega3/Omega6 unsaturated or branched chain fatty acids University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-12-19 — — US disclosed
US-20210353581-A1 Method of Treating Fatty Acid Oxidation Disorders Using Omega3/Omega6 Unsaturated or Branched Chain Fatty Acids UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2021-11-18 — — US disclosed
US-20210322357-A1 Method of Treating Fatty Acid Oxidation Disorders Using Omega3/Omega6 Unsaturated or Branched Chain Fatty Acids UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2021-10-21 — — 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 (4 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-20210353581-A1 Method of Treating Fatty Acid Oxidation Disorders Using Omega3/Omega6 Unsaturated or Branched Chain Fatty Acids ELOVL6, ELOVL3, CPT1B CYP1A2 694/4885MEN1 4750/4885KMT2A 2922/4885
US-11844775-B2 Method of treating fatty acid oxidation disorders using Omega3/Omega6 unsaturated or branched chain fatty acids ELOVL6, ELOVL3, CPT1B CYP1A2 676/4885MEN1 4759/4885KMT2A 2902/4885
US-20210322357-A1 Method of Treating Fatty Acid Oxidation Disorders Using Omega3/Omega6 Unsaturated or Branched Chain Fatty Acids ELOVL6, ELOVL3, CPT1B CYP1A2 676/4885MEN1 4759/4885KMT2A 2902/4885
US-12213956-B2 Method of treating fatty acid oxidation disorders using omega3/omega6 unsaturated or branched chain fatty acids ELOVL6, ELOVL3, CPT1B CYP1A2 694/4885MEN1 4750/4885KMT2A 2922/4885

“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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