Sugi Predict

Sugi Predict / Compounds / SCHEMBL15045873

SCHEMBL15045873

SCHEMBL15045873

CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H]1CCC(n2ccc(N)nc2=O)O1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ LPAR1 Q92633 1/20 0.39
▸ EP300 Q09472 1/20 0.38

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
SCHEMBL16125248 1.00 ALDH1A1 (0.43) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL15253319 1.00 ALDH1A1 (0.43) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL15253076 1.00 ALDH1A1 (0.43) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL15045854 1.00 ALDH1A1 (0.43) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL16125250 1.00 ALDH1A1 (0.43) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL15253320 1.00 ALDH1A1 (0.43) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL15253074 1.00 ALDH1A1 (0.43) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL16125249 0.97 NR1I2 (0.41) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL15253093 0.97 NR1I2 (0.41) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL15253094 0.97 NR1I2 (0.41) ALDH1A1CYP3A4ALOX15TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-05-12 — — US disclosed
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-05-12 — — US disclosed
US-20140288025-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-09-25 — — US disclosed
US-20140288025-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-09-25 — — US disclosed
US-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-09-19 — — US disclosed
US-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-09-19 — — US disclosed
WO-2013090420-A2 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-06-20 — — WO 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-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 ALDH1A1 1235/4885CYP3A4 2263/4885ALOX15 89/4885
US-20140288025-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 ALDH1A1 1235/4885CYP3A4 2263/4885ALOX15 89/4885
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 ALDH1A1 1235/4885CYP3A4 2263/4885ALOX15 89/4885

“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.