SCHEMBL16017809

SCHEMBL16017809

CC(OC(=O)OCCCC(C)(C)C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 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
SCHEMBL19500211 0.84 GRM1 (0.34) GRM1
SCHEMBL20051875 0.84 ALDH1A1 (0.45) GRM1
SCHEMBL16017772 0.81 ADRA2A (0.35)
SCHEMBL249417 0.80 ALDH1A1 (0.38)
SCHEMBL20051874 0.79 GRM1 (0.48) GRM1
SCHEMBL19500206 0.79 GRM1 (0.35) GRM1
SCHEMBL14296145 0.79 ALDH1A1 (0.32)
SCHEMBL25906795 0.79 CA1 (0.35)
SCHEMBL18837934 0.79 LMNA (0.34)
SCHEMBL25613184 0.76 ALDH1A1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256694-A1 STEROID ANTIBIOTIC CONJUGATES ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256696-A1 Steroid conjugates ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256658-A1 Antibiotic Conjugates ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256651-A1 Cyclosporine A steroid conjugates ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256666-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS ALLERGAN, INC. (US) 2014-09-11 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 (6 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-20140256666-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS MMP17, NAALAD2, DNPEP GRM1 4440/4885
US-20140256694-A1 STEROID ANTIBIOTIC CONJUGATES CYP17A1, CYP21A2, HSD17B1 GRM1 4459/4885
US-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS CYP21A2, CYP17A1, CYP46A1 GRM1 3755/4885
US-20140256658-A1 Antibiotic Conjugates NAALAD2, DNPEP, ENGASE GRM1 4573/4885
US-20140256696-A1 Steroid conjugates CYP21A2, CYP17A1, HSD17B2 GRM1 2577/4885
US-20140256651-A1 Cyclosporine A steroid conjugates CYP21A2, CHP1, CYP51A1 GRM1 4814/4885

“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.