SCHEMBL2491422

SCHEMBL2491422

C=C[CH]OCCCCCCO

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
LPAR3 Q9UBY5 1/20 0.32
LMNA P02545 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL2493267 0.98
SCHEMBL2493089 0.90
SCHEMBL21954872 0.80 TSHR (0.36) ALDH1A1TSHRCYP3A4LPAR3LMNA
SCHEMBL21954867 0.80 TSHR (0.36) ALDH1A1TSHRCYP3A4LPAR3LMNA
SCHEMBL8184356 0.80 TSHR (0.36) ALDH1A1TSHRCYP3A4LPAR3LMNA
SCHEMBL21954865 0.80 TSHR (0.36) ALDH1A1TSHRCYP3A4LPAR3LMNA
SCHEMBL21954877 0.80 TSHR (0.36) ALDH1A1TSHRCYP3A4LPAR3LMNA
SCHEMBL21954881 0.80 TSHR (0.36) ALDH1A1TSHRCYP3A4LPAR3LMNA
SCHEMBL21954863 0.80 TSHR (0.36) ALDH1A1TSHRCYP3A4LPAR3LMNA
SCHEMBL21954861 0.80 TSHR (0.36) ALDH1A1TSHRCYP3A4LPAR3LMNA

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
EP-2552989-A1 PREPARATION OF LIGNOCELLULOSIC PRODUCTS Dow Corning Corporation (US) 2013-02-06 EP claimed
US-20130022807-A1 Preparation Of Lignocellulosic Products DOW SILICONES CORPORATION 2013-01-24 US claimed
WO-2011119990-A1 PREPARATION OF LIGNOCELLULOSIC PRODUCTS DOW CORNING CORPORATION (US) 2011-09-29 WO claimed
US-8907037-B2 Preparation of lignocellulosic products DOW CORNING CORPORATION (US) 2014-12-09 US disclosed
EP-2552989-A1 PREPARATION OF LIGNOCELLULOSIC PRODUCTS Dow Corning Corporation (US) 2013-02-06 EP disclosed
US-20130022807-A1 Preparation Of Lignocellulosic Products DOW SILICONES CORPORATION 2013-01-24 US disclosed
WO-2011119990-A1 PREPARATION OF LIGNOCELLULOSIC PRODUCTS DOW CORNING CORPORATION (US) 2011-09-29 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 (1 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-20130022807-A1 Preparation Of Lignocellulosic Products DCXR, CTRC, DDOST ALDH1A1 1915/4885TSHR 4770/4885CYP3A4 1958/4885

“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.