SCHEMBL13610834

SCHEMBL13610834

CCCCCCCCCCCCCC(C)n1c(SCC(=O)C(C)(C)C)nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
L3MBTL1 Q9Y468 2/20 0.47
PTGDR2 Q9Y5Y4 3/20 0.46
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 3/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41

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
SCHEMBL13610932 0.81 ALDH1A1 (0.81) ALDH1A1L3MBTL1PTGDR2MAPTSMN1; SMN2
SCHEMBL13623674 0.75 ALDH1A1 (0.80) ALDH1A1L3MBTL1MAPTKMT2ARAB9A
SCHEMBL14048505 0.71 SMN1; SMN2 (0.44) ALDH1A1L3MBTL1TSHRSMN1; SMN2POLB
SCHEMBL7721154 0.70 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTKMT2ATSHR
SCHEMBL18250756 0.68 TSHR (0.49) ALDH1A1L3MBTL1TSHRSMN1; SMN2CNR1
SCHEMBL4296199 0.68 L3MBTL1 (0.91) ALDH1A1L3MBTL1PTGDR2MAPTKMT2A
SCHEMBL20206668 0.68 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPTKMT2ARAB9A
SCHEMBL18250331 0.67 SMN1; SMN2 (0.51) ALDH1A1L3MBTL1KMT2ATSHRSMN1; SMN2
SCHEMBL5107891 0.66 PTGDR2 (0.49) PTGDR2TSHRSMN1; SMN2NPSR1
SCHEMBL7721157 0.65 SMN1; SMN2 (0.47) ALDH1A1L3MBTL1PTGDR2KMT2ATSHR

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 ALDH1A1 2368/4885L3MBTL1 4358/4885PTGDR2 437/4885

“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.