SCHEMBL13623807

SCHEMBL13623807

CCOCC(COCCCNC(=O)CCN1C(=O)C=CC1=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
TLR2 O60603 2/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL18758187 0.87 SMN1; SMN2 (0.53) SMN1; SMN2HSD17B10POLBTSHRCASP1
SCHEMBL17930116 0.86 HPGD (0.41) SMN1; SMN2HSD17B10POLBTSHRCYP3A4
SCHEMBL12660032 0.86 HPGD (0.41) SMN1; SMN2HSD17B10POLBTSHRCYP3A4
SCHEMBL13623673 0.85 TLR2 (0.40) HSD17B10POLBTSHRCYP3A4CYP2C19
SCHEMBL26331966 0.85 SMN1; SMN2 (0.51) SMN1; SMN2HSD17B10POLBTSHRCASP1
SCHEMBL15887137 0.84 POLB (0.39) SMN1; SMN2HSD17B10POLBTSHRCYP3A4
SCHEMBL12355354 0.83 HSD17B10 (0.43) SMN1; SMN2HSD17B10POLBTSHRCASP1
SCHEMBL26031804 0.82 ALDH1A1 (0.39) SMN1; SMN2HSD17B10POLBTSHRCYP3A4
SCHEMBL18090282 0.82 POLB (0.39) SMN1; SMN2HSD17B10POLBTSHRCYP3A4
SCHEMBL15184870 0.81 TSHR (0.43) SMN1; SMN2HSD17B10POLBTSHRCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 SMN1; SMN2 2847/4885HSD17B10 1838/4885POLB 4806/4885

“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.