SCHEMBL20003881

SCHEMBL20003881

CCCC(C)c1noc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.49
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
LMNA P02545 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
MAOB P27338 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
NQO1 P15559 1/20 0.37
KCNA5 P22460 1/20 0.36
ESR1 P03372 1/20 0.35

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
SCHEMBL20696230 0.89 FAAH (0.51) GRM4FAAHMGLLLMNACA12
SCHEMBL21678833 0.86 FAAH (0.46) GRM4FAAHMGLLLMNACA12
SCHEMBL20229553 0.86 FAAH (0.43) GRM4FAAHMGLLLMNACA12
SCHEMBL21976909 0.86 FAAH (0.43) GRM4FAAHMGLLLMNACA12
SCHEMBL21976453 0.83 FAAH (0.44) GRM4FAAHMGLLLMNACA12
SCHEMBL21658639 0.79 GRM4 (0.47) GRM4FAAHMGLLLMNACA12
SCHEMBL12705967 0.78 GRM4 (0.48) GRM4HTR2AHTR7
SCHEMBL85415 0.78 CA12 (0.41) GRM4FAAHMGLLLMNACA12
SCHEMBL20626015 0.78 GRM4 (0.42) GRM4ESR1ESR2
SCHEMBL25671480 0.78 FAAH (0.49) GRM4FAAHMGLLLMNACA12

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-20220135611-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY 2022-05-05 US disclosed
US-20180085386-A1 URIDINE MONOPHOSPHATE AND TRIPHOSPHATE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY 2018-03-29 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 (2 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-20180085386-A1 URIDINE MONOPHOSPHATE AND TRIPHOSPHATE DERIVATIVES, COMPOSITIONS AND METHODS OF USE P2RY6, UPP1, UMPS GRM4 732/4885FAAH 1782/4885MGLL 2264/4885
US-20220135611-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE P2RY6, UPP1, UMPS GRM4 746/4885FAAH 1453/4885MGLL 1970/4885

“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.