SCHEMBL18474686

SCHEMBL18474686

CCCC(C)c1cc[nH]c(=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.39
GRM4 Q14833 1/20 0.39
GAA P10253 1/20 0.36
NOTUM Q6P988 1/20 0.35
GPR84 Q9NQS5 2/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NSD2 O96028 1/20 0.33
ABL1 P00519 1/20 0.33
PPARG P37231 1/20 0.33
RIN1 Q13671 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL19365913 0.85 HDAC4 (0.46) GRM8GRM4GAANOTUMGPR84
SCHEMBL25064753 0.81 GRM8 (0.38) GRM8GRM4GAANOTUMGPR84
SCHEMBL1104783 0.77 NOTUM (0.42) GRM8GRM4GAANOTUMHDAC4
SCHEMBL25883205 0.73 GPR84 (0.44) GRM8GRM4NOTUMGPR84SMN1; SMN2
SCHEMBL28018145 0.73 NOTUM (0.39) GRM8GRM4NOTUMNSD2ABL1
SCHEMBL19441070 0.73 NOTUM (0.39) GRM8GRM4NOTUMNSD2ABL1
SCHEMBL24253389 0.73 GRM8 (0.42) GRM8GRM4NOTUMNSD2ABL1
SCHEMBL18474893 0.73 GAA (0.38) GRM8GRM4GAAGPR84SMN1; SMN2
SCHEMBL28265713 0.72 HDAC6 (0.45) GRM8GRM4NOTUMNSD2ABL1
SCHEMBL23586494 0.72 SLC6A2 (0.50) GAATAS1R3TAS1R1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10881666-B2 Combination pharmaceutical agents as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-06-27 US disclosed
US-9770452-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-26 US disclosed
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2017-02-09 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 (3 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-10881666-B2 Combination pharmaceutical agents as RSV inhibitors SERPINB1, FURIN, HIF1AN GRM8 2283/4885GRM4 1831/4885GAA 305/4885
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 GRM8 40/4885GRM4 18/4885GAA 608/4885
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS SERPINB1, FURIN, HIF1AN GRM8 2283/4885GRM4 1831/4885GAA 305/4885

“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.