SCHEMBL20086304

SCHEMBL20086304

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CC)C(=O)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
NR1I2 O75469 2/20 0.44
PTGS2 P35354 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
PGR P06401 1/20 0.44
PDE4D Q08499 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
F7 P08709 3/20 0.43
F3 P13726 3/20 0.43
CYP19A1 P11511 3/20 0.43
MAPT P10636 2/20 0.43
OXER1 Q8TDS5 2/20 0.43
PTGS1 P23219 2/20 0.43
PPARG P37231 2/20 0.43

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
SCHEMBL21052409 0.88 ALDH1A1 (0.46) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL21052408 0.88 ALDH1A1 (0.46) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL21052411 0.87 ALDH1A1 (0.49) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL21052413 0.87 ALDH1A1 (0.49) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL23520505 0.87 CNR1 (0.55) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL3707645 0.87 CNR1 (0.55) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL3707641 0.87 CNR1 (0.55) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL15726990 0.86 ALDH1A1 (0.48) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL3688338 0.86 ALDH1A1 (0.55) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL13065747 0.86 ALDH1A1 (0.48) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11925614-B2 Fatty acid derivatives for treating non-alcoholic steatohepatitis BASF AS (NO) 2024-03-12 US disclosed
US-20210177794-A1 FATTY ACID DERIVATIVES FOR TREATING NON-ALCOHOLIC STEATOHEPATITIS BASF AS (NO) 2021-06-17 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
CN-111712240-A Fatty acid derivatives for the treatment of non-alcoholic steatohepatitis 巴斯夫股份公司 2020-09-25 CN 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 ALDH1A1 162/4885CYP3A4 796/4885ALOX15 65/4885
US-20180110747-A1 USE OF THIA OXO COMPOUNDS FOR LOWERING APO C3 APOB, TTPA, APOL1 ALDH1A1 2466/4885CYP3A4 735/4885ALOX15 80/4885
US-11925614-B2 Fatty acid derivatives for treating non-alcoholic steatohepatitis CPT1A, NR1H3, NR1H2 ALDH1A1 162/4885CYP3A4 796/4885ALOX15 65/4885

“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.