SCHEMBL19359795

SCHEMBL19359795

CCCOC(=O)OC(C(C)C)C(C)CC

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GRM1 Q13255 1/20 0.31
CTSK P43235 1/20 0.31
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.30
CHRM1 P11229 1/20 0.30
TSHR P16473 1/20 0.30
SLC6A2 P23975 1/20 0.30
KDR P35968 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6897096 0.88 CTSK (0.38) HCAR2ALDH1A1GRM1CTSKLMNA
SCHEMBL18558934 0.86 NAAA (0.44) HCAR2ALDH1A1LMNATSHR
SCHEMBL14991775 0.84 CTSK (0.33) ALDH1A1CTSK
SCHEMBL10887223 0.80 CTSK (0.31) CTSK
SCHEMBL12513932 0.80 CTSK (0.34) ALDH1A1CTSK
SCHEMBL14891376 0.77 ALDH1A1 (0.48) HCAR2ALDH1A1CTSKLMNAESR1
SCHEMBL20834120 0.77 ALDH1A1 (0.36) HCAR2ALDH1A1LMNATSHR
SCHEMBL12863912 0.77 HCAR2 (0.34) HCAR2ALDH1A1GRM1LMNAESR1
SCHEMBL2982786 0.76 HCAR2 (0.36) HCAR2ALDH1A1LMNAESR1CHRM1
SCHEMBL2984925 0.76 HCAR2 (0.36) HCAR2ALDH1A1LMNAESR1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723728-B2 Prodrugs of Nh-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2020-07-28 US disclosed
US-10011569-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-03 US disclosed
US-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-09-21 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-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L HCAR2 3365/4885ALDH1A1 113/4885GRM1 3932/4885
US-10011569-B2 Process for synthesizing oxidized lactam compounds COASY, DHPS, OXA1L HCAR2 3365/4885ALDH1A1 113/4885GRM1 3932/4885
US-10723728-B2 Prodrugs of Nh-acidic compounds SI, NAAA, NIT2 HCAR2 45/4885ALDH1A1 1082/4885GRM1 4705/4885

“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.