SCHEMBL2179864

SCHEMBL2179864

CCC(C)(C)C(=O)OCI

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
HMGCR P04035 2/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
Chloroform SCHEMBL8309128 0.91 CYP4F2 (0.35) CYP4F2CYP4A11HMGCRCA1CA2
SCHEMBL17860722 0.84 CYP4F2 (0.36) CYP4F2CYP4A11HMGCR
SCHEMBL130722 0.82 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL5021627 0.82 CYP4F2 (0.41) CYP4F2CYP4A11HMGCRALDH1A1LMNA
SCHEMBL824523 0.82 CYP4F2 (0.41) CYP4F2CYP4A11HMGCRALDH1A1
SCHEMBL13296226 0.80 CYP4F2 (0.39) CYP4F2CYP4A11HMGCRALDH1A1LMNA
SCHEMBL1628655 0.80 CYP4F2 (0.44) CYP4F2CYP4A11HMGCRALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL27912168 0.80 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL13039891 0.80 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL248949 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521711-B1 QUATERNARY AMMONIUM SALT PRODRUGS ALKERMES PHARMA IRELAND LTD (IE) 2017-08-16 EP disclosed
US-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 US disclosed
EP-2521711-A1 QUATERNARY AMMONIUM SALT PRODRUGS Alkermes, Inc. (US) 2012-11-14 EP disclosed
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs ALKERMES, INC. (US) 2011-07-21 US disclosed
WO-2011084846-A1 QUATERNARY AMMONIUM SALT PRODRUGS ALKERMES, INC. (US) 2011-07-14 WO disclosed
WO-2011084850-A1 PRODRUGS FOR THE TREATMENT OF SCHIZOPHRENIA AND BIPOLAR DISEASE ALKERMES, INC. (US) 2011-07-14 WO disclosed
WO-2011084851-A1 ASENAPINE PRODURUGS ALKERMES, INC. (US) 2011-07-14 WO disclosed
US-20110166194-A1 Asenapine Prodrugs ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 US disclosed
CN-1043042-C Cephalosporins derivatives and process for preparing them HOECHST AG (DE) 1999-04-21 CN disclosed
US-RE34865-E Antibiotics HOECHST AKTIENGESELLSCHAFT (DE) 1995-02-21 US disclosed
US-5100887-A Bactericides HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
CN-1035509-A Cynnematin analog derivative and preparation method thereof HOECHST AG (DE) 1989-09-13 CN 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-20110178068-A1 Quaternary Ammonium Salt Prodrugs SLC1A5, IDH1, ASS1 CYP4F2 2146/4885CYP4A11 1424/4885HMGCR 3269/4885
US-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B CYP4F2 2028/4885CYP4A11 571/4885HMGCR 2456/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB CYP4F2 173/4885CYP4A11 749/4885HMGCR 2871/4885

“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.