SCHEMBL19009978

SCHEMBL19009978

CN1CCOc2c1ccc(P(c1ccccc1)c1ccccc1)c2-c1c(P(c2ccccc2)c2ccccc2)ccc2c1OCCC2

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.33
DRD1 P21728 2/20 0.31

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
SCHEMBL30818349 0.89 GRM5 (0.39) GRM5DRD1
SCHEMBL726239 0.89 GRM5 (0.39) GRM5DRD1
SCHEMBL19912184 0.84 TNKS (0.34) GRM5
SCHEMBL15905925 0.83 GRM5 (0.36) GRM5DRD1
SCHEMBL13681621 0.78 SCN9A (0.37) GRM5
SCHEMBL14688030 0.78 DRD1 (0.41) DRD1
SCHEMBL1224769 0.75 CYP11B1 (0.33) GRM5DRD1
SCHEMBL12446372 0.72 PTGER3 (0.36) GRM5DRD1
SCHEMBL16361843 0.71 DRD1 (0.43) DRD1
SCHEMBL14271036 0.70 HTR1A (0.32)

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-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 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-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS POF1B, FGFR1, COASY GRM5 1714/4885DRD1 2153/4885

“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.