SCHEMBL21769282

SCHEMBL21769282

CCCCCCCC(C)(CCCC)C(=O)OCC1CO1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.40
ENPP2 Q13822 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LPAR1 Q92633 3/20 0.36
LPAR3 Q9UBY5 3/20 0.36

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
SCHEMBL19651997 0.93 ALDH1A1 (0.41) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL10773349 0.91 ALDH1A1 (0.41) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL9952240 0.90 ALDH1A1 (0.41) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL284419 0.87 CYP4F2 (0.47) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL12900126 0.86 ALDH1A1 (0.46) ALDH1A1TDP1SMN1; SMN2TP53CYP3A4
SCHEMBL27961199 0.85 ALDH1A1 (0.45) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL5076240 0.85 ALDH1A1 (0.47) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL9957587 0.85 CYP4F2 (0.45) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL25946574 0.84 PDCD4 (0.38) ALDH1A1TDP1
SCHEMBL12026823 0.83 ALDH1A1 (0.44) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10815186-B2 Preparation of vegetable oil-based monomers for use in thermosetting resins WASHINGTON STATE UNIVERSITY (US) 2020-10-27 US disclosed
US-20200062688-A1 PREPARATION OF VEGETABLE OIL-BASED MONOMERS FOR USE IN THERMOSETTING RESINS WASHINGTON STATE UNIVERSITY 2020-02-27 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 (2 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-20200062688-A1 PREPARATION OF VEGETABLE OIL-BASED MONOMERS FOR USE IN THERMOSETTING RESINS FASN, REV1, WDR48 ALDH1A1 3392/4885TDP1 2394/4885SMN1; SMN2 1185/4885
US-10815186-B2 Preparation of vegetable oil-based monomers for use in thermosetting resins FASN, REV1, WDR48 ALDH1A1 3392/4885TDP1 2394/4885SMN1; SMN2 1185/4885

“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.