SCHEMBL2275748

SCHEMBL2275748

C=C(CC(CC)CCCC)C(=O)O.C=CCC(=C)C(=O)O.C=COC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
RECQL P46063 1/20 0.34
CYP3A4 P08684 3/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA2 P00918 3/20 0.33
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4374381 0.94 TSHR (0.44) TSHRRECQLCYP3A4ATMTDP1
Acrylic Acid SCHEMBL5062877 0.90 TSHR (0.45) TSHRRECQLCYP3A4ATMTDP1
SCHEMBL2278328 0.87 TSHR (0.39) TSHRRECQLCYP3A4ATMTDP1
SCHEMBL2281296 0.87 TSHR (0.39) TSHRRECQLCYP3A4ATMTDP1
SCHEMBL7259706 0.84 TSHR (0.51) TSHRRECQLCYP3A4ATMTDP1
SCHEMBL3249371 0.83 TSHR (0.43) TSHRRECQLCYP3A4ATMTDP1
SCHEMBL2279931 0.81 TSHR (0.33) TSHRCYP3A4ATMTDP1
SCHEMBL22081 0.80 CA2 (0.47) TSHRRECQLCYP3A4ATMTDP1
SCHEMBL20609791 0.80 CA2 (0.47) TSHRRECQLCYP3A4ATMTDP1
SCHEMBL2284258 0.79 TSHR (0.39) TSHRRECQLCYP3A4ATMTDP1

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-7989654-B2 High purity bases of 3,3-diphenylpropylamino monoesters UCB PHARMA GMBH (DE) 2011-08-02 US disclosed
US-20090012159-A1 HIGH PURITY BASES OF 3,3-DIPHENYLPROPYLAMINO MONOESTERS UCB PHARMA GMBH (DE) 2009-01-08 US disclosed
US-20060014832-A1 Highly pure bases of 3,3-dipheyl propylamine monoesters SCHWARZ PHARMA AG (DE) 2006-01-19 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-20060014832-A1 Highly pure bases of 3,3-dipheyl propylamine monoesters ADRB3, DRD3, CYP3A5 TSHR 567/4885RECQL 924/4885CYP3A4 76/4885
US-20090012159-A1 HIGH PURITY BASES OF 3,3-DIPHENYLPROPYLAMINO MONOESTERS CYP11B2, CYP11B1, CYP21A2 TSHR 474/4885RECQL 1970/4885CYP3A4 59/4885

“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.