SCHEMBL29454698

SCHEMBL29454698

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
CYP19A1 P11511 4/20 0.48
PPARG P37231 3/20 0.48
OXER1 Q8TDS5 3/20 0.48
MAPT P10636 3/20 0.48
RXRA P19793 2/20 0.48
FFAR1 O14842 2/20 0.48
PTGS1 P23219 4/20 0.45
F7 P08709 3/20 0.45
F3 P13726 3/20 0.45
PPARA Q07869 3/20 0.45
KMT2A Q03164 2/20 0.45
PPARD Q03181 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
NR1I2 O75469 2/20 0.42
PTGS2 P35354 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL30063044 1.00 ALDH1A1 (0.48) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL16232223 1.00 ALDH1A1 (0.48) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL3307320 0.91
SCHEMBL3307326 0.91
SCHEMBL4303635 0.91
SCHEMBL6932261 0.84 ALDH1A1 (0.52) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL8635444 0.84 ALDH1A1 (0.52) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL6292855 0.84 ALDH1A1 (0.52) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL8635449 0.84 ALDH1A1 (0.52) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL26090837 0.83 ALDH1A1 (0.42) ALDH1A1CYP19A1PPARGOXER1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240010601-A1 METHODS TO PRODUCE VERY LONG CHAIN FATTY ACIDS (VLCFA) THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2024-01-11 US disclosed
EP-4203940-A1 METHODS TO PRODUCE VERY LONG CHAIN FATTY ACIDS (VLCFA) The United States Of America, As Represented By The Secretary, Department of Health and Human Services (US) 2023-07-05 EP disclosed
WO-2022047365-A1 METHODS TO PRODUCE VERY LONG CHAIN FATTY ACIDS (VLCFA) THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2022-03-03 WO 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-20240010601-A1 METHODS TO PRODUCE VERY LONG CHAIN FATTY ACIDS (VLCFA) ELOVL1, ELOVL3, HACD3 ALDH1A1 244/4885CYP19A1 2002/4885PPARG 200/4885

“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.