SCHEMBL13239248

SCHEMBL13239248

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
DNM1 Q05193 1/20 0.35
LPAR1 Q92633 4/20 0.34
LPAR3 Q9UBY5 4/20 0.34
LPAR2 Q9HBW0 1/20 0.34
PLA2G2C Q5R387 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
TLR2 O60603 1/20 0.30

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
SCHEMBL16189800 0.91 DNM1 (0.38) TSHRDNM1LPAR1LPAR3LPAR2
SCHEMBL1776900 0.85 DNM1 (0.42) TSHRDNM1LPAR1LPAR3LPAR2
SCHEMBL15624089 0.84 TSHR (0.41) TSHRDNM1PLA2G2CALDH1A1CNR1
SCHEMBL13239753 0.82 LPAR1 (0.36) DNM1LPAR1LPAR3LPAR2PLA2G2C
SCHEMBL16391359 0.81 CNR2 (0.49) TSHRDNM1LPAR1LPAR3LPAR2
SCHEMBL1781072 0.79 DNM1 (0.50) TSHRDNM1LPAR1LPAR3LPAR2
SCHEMBL10791875 0.79 TSHR (0.33) TSHRDNM1PLA2G2CALDH1A1HPGD
SCHEMBL9289205 0.79 TSHR (0.36) TSHRDNM1PLA2G2CALDH1A1CNR1
SCHEMBL13239759 0.78 TSHR (0.37) TSHRLPAR1LPAR3LPAR2PLA2G2C
SCHEMBL13239247 0.78 TSHR (0.37) TSHRLPAR1LPAR3LPAR2PLA2G2C

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 4110/4885DNM1 204/4885LPAR1 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.