SCHEMBL12044409

SCHEMBL12044409

CCCCCCC(CCCCCC)C(=O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.55
GRIK1 P39086 2/20 0.48
GRIK2 Q13002 2/20 0.48
ACE2 Q9BYF1 1/20 0.48
GPR84 Q9NQS5 7/20 0.48
CA1 P00915 2/20 0.48
FFAR1 O14842 1/20 0.48
MAPT P10636 1/20 0.47
LCK P06239 1/20 0.47
PPARD Q03181 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL19115177 1.00 CA2 (0.55) CA2GRIK1GRIK2ACE2GPR84
SCHEMBL25834839 1.00 CA2 (0.55) CA2GRIK1GRIK2ACE2GPR84
SCHEMBL12044763 1.00 CA2 (0.55) CA2GRIK1GRIK2ACE2GPR84
SCHEMBL19115528 0.98 CA2 (0.59) CA2GRIK1GRIK2ACE2GPR84
SCHEMBL12173991 0.93 CA2 (0.48) CA2GRIK1GRIK2ACE2GPR84
SCHEMBL22032448 0.91 CA2 (0.52) CA2GRIK1GRIK2ACE2GPR84
SCHEMBL11848254 0.88 CA2 (0.61) CA2GRIK1GRIK2ACE2GPR84
SCHEMBL22075938 0.88 CA2 (0.61) CA2GRIK1GRIK2ACE2GPR84
SCHEMBL20676814 0.88 CA2 (0.61) CA2GRIK1GRIK2ACE2GPR84
SCHEMBL20676754 0.88 CA2 (0.61) CA2GRIK1GRIK2ACE2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9730939-B2 Heterocyclylamines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-08-15 US disclosed
US-20170196848-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives ALKERMES PHARMA IRELAND LTD (IE) 2017-07-13 US disclosed
US-20170196848-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives ALKERMES PHARMA IRELAND LTD (IE) 2017-07-13 US disclosed
US-9682954-B2 Phenanthridine derivatives, preparation methods and uses thereof KUNMING INSTITUTE OF BOTANY, THE CHINESE ACADEMY OF SCIENCES (CN) 2017-06-20 US disclosed
US-9585965-B2 Prodrugs of NH-acidic compounds: ester, carbonate, carbamate and phosphonate derivatives ALKERMES PHARMA IRELAND LIMITED (IE) 2017-03-07 US disclosed
US-9585965-B2 Prodrugs of NH-acidic compounds: ester, carbonate, carbamate and phosphonate derivatives ALKERMES PHARMA IRELAND LIMITED (IE) 2017-03-07 US disclosed
US-20150320875-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives ALKERMES PHARMA IRELAND LTD (IE) 2015-11-12 US disclosed
US-9072788-B2 Prodrugs of NH-acidic compounds: ester, carbonate, carbamate and phosphonate derivatives ALKERMES PHARMA IRELAND LIMITED (IE) 2015-07-07 US disclosed
US-20110319422-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES ALKERMES, INC. (US) 2011-12-29 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 (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-20150320875-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives PHPT1, SI, CA6 CA2 5/4885GRIK1 4070/4885GRIK2 4068/4885
US-20170196848-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives PHPT1, SI, CA6 CA2 5/4885GRIK1 4070/4885GRIK2 4068/4885
US-20110319422-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES PHPT1, SI, CA6 CA2 5/4885GRIK1 4070/4885GRIK2 4068/4885

“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.