SCHEMBL15908489

SCHEMBL15908489

CCCCC/C=C\C/C=C\C/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
SCHEMBL15908476 1.00 ALDH1A1 (0.73) ALDH1A1PPARGF7F3KDM4E
SCHEMBL11893268 1.00 ALDH1A1 (0.73) ALDH1A1PPARGF7F3KDM4E
SCHEMBL9183242 1.00 ALDH1A1 (0.73) ALDH1A1PPARGF7F3KDM4E
SCHEMBL3414485 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9833002-B2 Biocide compositions ECOLAB USA INC. (US) 2017-12-05 US disclosed
US-20160374346-A1 BIOCIDE COMPOSITIONS NORRISEAL-WELLMARK, INC. 2016-12-29 US disclosed
US-9374999-B2 Biocide compositions ECOLAB USA INC. (US) 2016-06-28 US disclosed
US-9102791-B2 Alkoxylated sorbitan esters as crude oil emulsion breakers ECOLAB USA INC. (US) 2015-08-11 US disclosed
US-20150038470-A1 BIOCIDE COMPOSITIONS NORRIS RODS, INC., 2015-02-05 US disclosed
US-20140213668-A1 ALKOXYLATED SORBITAN ESTERS AS CRUDE OIL EMULSION BREAKERS ECOLAB USA INC. (US) 2014-07-31 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 (3 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-20140213668-A1 ALKOXYLATED SORBITAN ESTERS AS CRUDE OIL EMULSION BREAKERS SCD, SORBS1, ALK ALDH1A1 2056/4885PPARG 165/4885F7 3958/4885
US-20150038470-A1 BIOCIDE COMPOSITIONS ABHD6, MGLL, GUSB ALDH1A1 1945/4885PPARG 1915/4885F7 3920/4885
US-20160374346-A1 BIOCIDE COMPOSITIONS ABHD6, MGLL, GUSB ALDH1A1 1945/4885PPARG 1915/4885F7 3920/4885

“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.