SCHEMBL17519972

SCHEMBL17519972

CN(C)c1ccc(C(=O)O)cc1C#N

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.51
XDH P47989 1/20 0.51
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL16731730 0.84 ALDH1A1 (0.50) HCAR3XDHALDH1A1HPGD
SCHEMBL1110736 0.82 CA1 (0.45) XDHALDH1A1HPGDGAAMAPT
SCHEMBL20587133 0.82 ALDH1A1 (0.42) HCAR3XDHALDH1A1HPGD
SCHEMBL3711554 0.79 GAA (0.40) HCAR3XDHALDH1A1HPGDGAA
SCHEMBL13722439 0.79 XDH (0.56) XDHKDM4E
SCHEMBL29472005 0.77 ALDH1A1 (0.59) XDHALDH1A1HPGDGAAMAPT
SCHEMBL4844022 0.77 ALDH1A1 (0.59) XDHALDH1A1HPGDGAAMAPT
SCHEMBL31186416 0.77 ALDH1A1 (0.51) ALDH1A1HPGD
SCHEMBL3959215 0.77 ALDH1A1 (0.51) ALDH1A1HPGD
SCHEMBL28343052 0.76 ALDH1A1 (0.50) XDHALDH1A1HPGDGAAMAPT

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-20190275181-A1 Compounds for Positron Emission Tomography ENDOCYTE INC (US) 2019-09-12 US disclosed
EP-2455105-B1 Bombesin analogues PIRAMAL IMAGING SA (CH) 2016-02-17 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-20190275181-A1 Compounds for Positron Emission Tomography FOLH1, FOLR2, FOLR1 HCAR3 1273/4885XDH 3300/4885ALDH1A1 2485/4885

“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.