SCHEMBL13239247

SCHEMBL13239247

C=CC(=O)/C=C/C[C@@H](CCCOCCCC)OCCCC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
HPGD P15428 1/20 0.37
LPAR1 Q92633 4/20 0.33
LPAR3 Q9UBY5 4/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ATM Q13315 1/20 0.33
TLR2 O60603 4/20 0.32
PLA2G2C Q5R387 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CES2 O00748 1/20 0.31
LPAR2 Q9HBW0 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
SCHEMBL13239759 1.00 TSHR (0.37) TSHRHPGDLPAR1LPAR3HCAR2
SCHEMBL13238856 0.92 LPAR1 (0.36) TSHRLPAR1LPAR3HCAR2ATM
SCHEMBL13239248 0.78 TSHR (0.36) TSHRHPGDLPAR1LPAR3TLR2
Acrylic Acid SCHEMBL3649132 0.70 TSHR (0.57) TSHRHPGDHCAR2ATMZDHHC20
SCHEMBL16189800 0.69 DNM1 (0.38) TSHRHPGDLPAR1LPAR3ALDH1A1
SCHEMBL21840411 0.67 TSHR (0.60) TSHRHPGDHCAR2ATMALDH1A1
Acrylic Acid SCHEMBL8463934 0.66 TSHR (0.56) TSHRHPGDHCAR2ATMZDHHC20
SCHEMBL17294081 0.65 TSHR (0.48) TSHRHPGDALDH1A1
SCHEMBL17294082 0.65 TSHR (0.48) TSHRHPGDALDH1A1
Acrylamide SCHEMBL5798455 0.65 TSHR (0.55) TSHRHPGDHCAR2ATMZDHHC20

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-8350062-B2 Synthesis and anticancer activity of new actin-targeting small-molecule agents THE UNIVERSITY OF CHICAGO (US) 2013-01-08 US disclosed
US-20100217019-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF NEW ACTIN-TARGETING SMALL-MOLECULE AGENTS THE UNIVERSITY OF CHICAGO 2010-08-26 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 (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-20100217019-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF NEW ACTIN-TARGETING SMALL-MOLECULE AGENTS ACTR2, ACTR3, ACTB TSHR 4110/4885HPGD 3099/4885LPAR1 3008/4885

“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.