SCHEMBL13083206

SCHEMBL13083206

COCc1ccccc1CCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
PDK2 Q15119 1/20 0.38
FFAR1 O14842 1/20 0.38
CYP4F2 P78329 4/20 0.37
CYP4A11 Q02928 4/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
PRKCE Q02156 2/20 0.35
MYLK Q15746 2/20 0.35
IDO1 P14902 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PRKCG P05129 1/20 0.35
MAPT P10636 1/20 0.35
PRKCA P17252 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL648491 0.83 IDO1 (0.44) TDP1PDK2FFAR1PRKCEMYLK
SCHEMBL29618445 0.82 CYP4F2 (0.43) TDP1PDK2FFAR1CYP4F2CYP4A11
SCHEMBL3150243 0.82 CYP4F2 (0.43) TDP1PDK2FFAR1CYP4F2CYP4A11
SCHEMBL18382507 0.82 GABRA1 (0.43) TDP1PDK2FFAR1CYP4F2CYP4A11
SCHEMBL29534868 0.81 TDP1 (0.55) TDP1FFAR1CYP4F2CYP4A11ALDH1A1
SCHEMBL31203 0.81 TDP1 (0.55) TDP1FFAR1CYP4F2CYP4A11ALDH1A1
SCHEMBL12727308 0.80 PDK2 (0.35) TDP1PDK2FFAR1CYP4F2CYP4A11
SCHEMBL8439589 0.80 ADRA2A (0.47) PDK2FFAR1IDO1MEN1ALDH1A1
SCHEMBL21482586 0.77 TRPA1 (0.37) PDK2FFAR1CYP4F2CYP4A11MTNR1A
Phenol SCHEMBL4103629 0.77 TDP1 (0.52) TDP1PDK2FFAR1PRKCEMYLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283339-B2 Vinyl phosphonate lysophosphatidic acid receptor antagonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-10-09 US disclosed
US-20090197835-A1 VINYL PHOSPHONATE LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-08-06 US disclosed
WO-2008014286-A1 VINYL PHOSPHONATE LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-01-31 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-20090197835-A1 VINYL PHOSPHONATE LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR4, LPAR5 TDP1 4090/4885PDK2 2831/4885FFAR1 35/4885

“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.