SCHEMBL16472576

SCHEMBL16472576

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)CC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.67
CYP19A1 P11511 4/20 0.67
MAPT P10636 4/20 0.67
PPARG P37231 3/20 0.67
OXER1 Q8TDS5 3/20 0.67
RXRA P19793 2/20 0.67
FFAR1 O14842 2/20 0.67
F7 P08709 3/20 0.57
F3 P13726 3/20 0.57
PPARA Q07869 3/20 0.57
PTGS1 P23219 3/20 0.57
KMT2A Q03164 2/20 0.57
PPARD Q03181 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
NR1I2 O75469 2/20 0.53
PTGS2 P35354 2/20 0.53
CYP3A4 P08684 2/20 0.53
ALOX15 P16050 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TDP1 Q9NUW8 2/20 0.53

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
SCHEMBL15678968 1.00 ALDH1A1 (0.67) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL15241269 0.93 ALDH1A1 (0.56) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL4708110 0.93 ALDH1A1 (0.56) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL4708111 0.93 ALDH1A1 (0.56) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL353830 0.91 ALDH1A1 (0.72) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL353829 0.91 ALDH1A1 (0.72) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL16596923 0.88 ALDH1A1 (0.69) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL18250668 0.88 ALDH1A1 (0.69) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL22645185 0.84 ALDH1A1 (0.71) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL4553010 0.83 ALDH1A1 (0.50) ALDH1A1CYP19A1MAPTPPARGOXER1

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-20200038342-A1 FATTY ACID CYSTEAMINE CONJUGATES AND THEIR USE AS ACTIVATORS OF AUTOPHAGY CATABASIS PHARMACEUTICALS, INC. 2020-02-06 US disclosed
US-10251845-B2 Fatty acid cysteamine conjugates and their use as activators of autophagy CATABASIS PHARMACEUTICALS, INC. (US) 2019-04-09 US disclosed
US-20170258741-A1 FATTY ACID CYSTEAMINE CONJUGATES AND THEIR USE AS ACTIVATORS OF AUTOPHAGY CATABASIS PHARMACEUTICALS, INC. (US) 2017-09-14 US disclosed
US-20140012024-A1 METHOD FOR THE SYNTHESIS OF DHA PHENOMENOME DISCOVERIES INC. (CA) 2014-01-09 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-20140012024-A1 METHOD FOR THE SYNTHESIS OF DHA FADS2, FASN, ALOX5 ALDH1A1 642/4885CYP19A1 222/4885MAPT 4553/4885
US-20170258741-A1 FATTY ACID CYSTEAMINE CONJUGATES AND THEIR USE AS ACTIVATORS OF AUTOPHAGY NDUFAB1, ATG7, HADHA ALDH1A1 1342/4885CYP19A1 3419/4885MAPT 1528/4885
US-10251845-B2 Fatty acid cysteamine conjugates and their use as activators of autophagy NDUFAB1, ATG7, NLN ALDH1A1 1672/4885CYP19A1 3834/4885MAPT 1391/4885
US-20200038342-A1 FATTY ACID CYSTEAMINE CONJUGATES AND THEIR USE AS ACTIVATORS OF AUTOPHAGY ATG7, ATG4A, SLC27A1 ALDH1A1 2685/4885CYP19A1 1934/4885MAPT 1391/4885

“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.