SCHEMBL3414485

SCHEMBL3414485

CCCCC/C=C\C/C=C\CCCCCC(C)=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
PPARG P37231 5/20 0.73
F7 P08709 4/20 0.73
F3 P13726 4/20 0.73
KDM4E B2RXH2 4/20 0.73
PPARD Q03181 4/20 0.73
PPARA Q07869 4/20 0.73
FFAR1 O14842 3/20 0.73
FABP3 P05413 3/20 0.73
PTGS1 P23219 2/20 0.73
LMNA P02545 2/20 0.73
CYP3A4 P08684 2/20 0.73
CYP19A1 P11511 2/20 0.73
FABP4 P15090 2/20 0.73
HPGD P15428 2/20 0.73
ALOX15 P16050 2/20 0.73
AKR1C3 P42330 2/20 0.73
NR4A2 P43354 2/20 0.73
HSD17B10 Q99714 2/20 0.73
TDP1 Q9NUW8 2/20 0.73

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
SCHEMBL18325614 1.00 ALDH1A1 (0.73) ALDH1A1PPARGF7F3KDM4E
SCHEMBL15908483 1.00 ALDH1A1 (0.73) ALDH1A1PPARGF7F3KDM4E
SCHEMBL15908480 1.00 ALDH1A1 (0.73) ALDH1A1PPARGF7F3KDM4E
SCHEMBL2621471 1.00 ALDH1A1 (0.73) ALDH1A1PPARGF7F3KDM4E
SCHEMBL15908489 1.00 ALDH1A1 (0.73) ALDH1A1PPARGF7F3KDM4E
SCHEMBL15908476 1.00 ALDH1A1 (0.73) ALDH1A1PPARGF7F3KDM4E
SCHEMBL11893268 1.00 ALDH1A1 (0.73) ALDH1A1PPARGF7F3KDM4E
SCHEMBL9183242 1.00 ALDH1A1 (0.73) ALDH1A1PPARGF7F3KDM4E
SCHEMBL21302754 1.00 ALDH1A1 (0.73) ALDH1A1PPARGF7F3KDM4E
SCHEMBL10740192 0.98 PPARG (0.72) ALDH1A1PPARGF7F3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030104082-A1 Antimicrobial prevention and treatment of human immunedeficience virus and other infectious diseases MCGINLEY PARTNERS, LLC (US) 2003-06-05 US claimed
US-9662360-B2 Treatment of herpes, pseudomonas, staph, and hepatitis MERITUS CORPORATION (DM) 2017-05-30 US disclosed
US-20160151436-A1 Treatment of Herpes, Pseudomonas, Staph, and Hepatitis MERITUS CORPORATION (DM) 2016-06-02 US disclosed
WO-2012119781-A2 NOVEL LIPIDS, PHOSPHOLIPIDS, PHOSPHOLIPID AND LIPID COMPOSITIONS AND THEIR USE UNIVERSITY OF GENEVA (CH) 2012-09-13 WO disclosed
US-20100303935-A1 Medicinal Composition MCGINLEY PARTNERS, LLC (US) 2010-12-02 US disclosed
US-20090191288-A1 Composition to Treat Herpes, Pseudomonas, Staph, Hepatitis and Other Infectious Diseases SQUIRES MERYL J 2009-07-30 US disclosed
US-7071233-B2 Antimicrobial prevention and treatment of human immunedeficience virus and other infectious diseases Squires, Meryl J. (US) 2006-07-04 US disclosed
US-20030104082-A1 Antimicrobial prevention and treatment of human immunedeficience virus and other infectious diseases MCGINLEY PARTNERS, LLC (US) 2003-06-05 US disclosed
US-6350784-B1 PHYTOCHEMICALS, SURFACTANT, FOLIC ACID, Squires, Meryl J. 2002-02-26 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-20160151436-A1 Treatment of Herpes, Pseudomonas, Staph, and Hepatitis NISCH, CUTA, HRH1 ALDH1A1 690/4885PPARG 1543/4885F7 767/4885
US-20090191288-A1 Composition to Treat Herpes, Pseudomonas, Staph, Hepatitis and Other Infectious Diseases ASPH, KCNH3, PRPH ALDH1A1 876/4885PPARG 979/4885F7 572/4885
US-20100303935-A1 Medicinal Composition MUSK, TNNC1, ACHE ALDH1A1 759/4885PPARG 842/4885F7 909/4885
US-20030104082-A1 Antimicrobial prevention and treatment of human immunedeficience virus and other infectious diseases CD14, CD59, SLC19A1 ALDH1A1 1759/4885PPARG 2077/4885F7 506/4885

“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.