SCHEMBL20086313

SCHEMBL20086313

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CC)C(=O)OCC(O)COC(=O)C(CC)OCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.45
ALDH1A1 P00352 6/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
NR1I2 O75469 2/20 0.43
PTGS2 P35354 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
PGR P06401 1/20 0.43
PDE4D Q08499 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
F7 P08709 3/20 0.42
F3 P13726 3/20 0.42
CYP19A1 P11511 3/20 0.42
MAPT P10636 2/20 0.42
OXER1 Q8TDS5 2/20 0.42
PTGS1 P23219 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
SCHEMBL20086307 0.94 FAAH (0.54) FAAHALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL21052411 0.89 ALDH1A1 (0.49) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL21052413 0.89 ALDH1A1 (0.49) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL3688338 0.88 ALDH1A1 (0.55) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL3688336 0.88 ALDH1A1 (0.55) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL23520453 0.87 ALDH1A1 (0.44) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL2783732 0.87 ALDH1A1 (0.44) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL2783735 0.87 ALDH1A1 (0.44) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL20086311 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL20086306 0.85 ALDH1A1 (0.50) ALDH1A1CYP3A4ALOX15HSD17B10TDP1

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-20240325336-A1 COMBINATION THERAPIES COMPRISING OXYGEN-CONTAINING STRUCTURALLY ENHANCED FATTY ACIDS FOR TREATMENT OF NON-ALCOHOLIC STEATOHEPATITIS NORTHSEA THERAPEUTICS B.V. (NL) 2024-10-03 US disclosed
US-20210177794-A1 FATTY ACID DERIVATIVES FOR TREATING NON-ALCOHOLIC STEATOHEPATITIS BASF AS (NO) 2021-06-17 US disclosed
EP-3720431-A1 FATTY ACID DERIVATIVES FOR TREATING NON-ALCOHOLIC STEATOHEPATITIS BASF AS (NO) 2020-10-14 EP disclosed
WO-2019111048-A1 FATTY ACID DERIVATIVES FOR TREATING NON-ALCOHOLIC STEATOHEPATITIS BASF AS (NO) 2019-06-13 WO disclosed
US-20180110747-A1 USE OF THIA OXO COMPOUNDS FOR LOWERING APO C3 BASF AS (NO) 2018-04-26 US disclosed
US-20180110747-A1 USE OF THIA OXO COMPOUNDS FOR LOWERING APO C3 BASF AS (NO) 2018-04-26 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 (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-20210177794-A1 FATTY ACID DERIVATIVES FOR TREATING NON-ALCOHOLIC STEATOHEPATITIS CPT1A, NR1H3, NR1H2 FAAH 372/4885ALDH1A1 162/4885CYP3A4 796/4885
US-20240325336-A1 COMBINATION THERAPIES COMPRISING OXYGEN-CONTAINING STRUCTURALLY ENHANCED FATTY ACIDS FOR TREATMENT OF NON-ALCOHOLIC STEATOHEPATITIS ACACA, PC, ACACB FAAH 459/4885ALDH1A1 525/4885CYP3A4 1003/4885
US-20180110747-A1 USE OF THIA OXO COMPOUNDS FOR LOWERING APO C3 APOB, TTPA, APOL1 FAAH 3104/4885ALDH1A1 2466/4885CYP3A4 735/4885

“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.