SCHEMBL1997267

SCHEMBL1997267

C=C(CC(OC1CCCCO1)C(=O)OCc1ccc(OC)cc1)C(=O)OCc1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.41
MAPT P10636 1/20 0.38
EPHX2 P34913 1/20 0.38
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FKBP1A P62942 1/20 0.34

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
SCHEMBL8633052 0.82 CACNA1B (0.45) CACNA1BMAPTEPHX2HPGDALDH1A1
SCHEMBL14330745 0.76 SLC6A3 (0.36) MEN1KMT2A
SCHEMBL2049993 0.75 ALDH1A1 (0.38) CACNA1BALDH1A1SMN1; SMN2KMT2A
SCHEMBL14320845 0.75 ALDH1A1 (0.38) CACNA1BALDH1A1SMN1; SMN2KMT2A
SCHEMBL11255018 0.74 CACNA1B (0.42) CACNA1BMAPTEPHX2HPGDSMN1; SMN2
SCHEMBL3278746 0.73 MEN1 (0.40) EPHX2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14331616 0.72 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL10963986 0.72 CACNA1B (0.40) CACNA1BMAPTEPHX2MEN1KMT2A
SCHEMBL11219328 0.72 ALDH1A1 (0.47) CACNA1BEPHX2ALDH1A1GAASMN1; SMN2
SCHEMBL11092885 0.71 CACNA1B (0.40) CACNA1BMAPTEPHX2HPGDALDH1A1

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-20120328518-A1 PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS PIRAMAL IMAGING SA (CH) 2012-12-27 US disclosed
US-20120328518-A1 PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS PIRAMAL IMAGING SA (CH) 2012-12-27 US disclosed
EP-2338892-A1 Prostate specific membrane antigen inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2011-06-29 EP 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-20120328518-A1 PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS KLK3, FOLH1, ACP3 CACNA1B 2605/4885MAPT 1467/4885EPHX2 3758/4885

“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.