SCHEMBL6900291

SCHEMBL6900291

CCOC(=O)C(C)OC(=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 3/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 2/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TRPA1 O75762 1/20 0.36
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PIN1 Q13526 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL2058250 0.84 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL21688629 0.84 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL19654575 0.84 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL6943196 0.83 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL28391087 0.83 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL16307593 0.83 CHRNB2 (0.33) ALDH1A1TSHR
SCHEMBL1396454 0.82 HCAR2 (0.36) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL22486478 0.82 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL22486534 0.82 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL20511559 0.82 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10GAAALOX15

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040787-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-08-07 US disclosed
US-10011569-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-03 US disclosed
US-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-06-14 US disclosed
US-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-09-21 US disclosed
EP-2445502-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES PHARMA IRELAND LTD (IE) 2017-06-21 EP disclosed
US-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 US disclosed
US-9650341-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-05-16 US disclosed
US-9580417-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-02-28 US disclosed
US-20170015659-A1 Prodrugs of NH-Acidic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-01-19 US disclosed
US-20160318869-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-11-03 US disclosed
US-9107911-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-18 US disclosed
US-9102618-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-11 US disclosed
US-20140350254-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders ALKERMES PHARMA IRELAND LTD (IE) 2014-11-27 US disclosed
US-20140051852-A1 Process for Synthesizing Oxidized Lactam Compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2014-02-20 US disclosed
US-8431576-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2013-04-30 US disclosed
US-20130096089-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders ALKERMES PHARMA IRELAND LIMITED 2013-04-18 US disclosed
US-20120015866-A1 Prodrugs of Heteraromatic Compounds ALKERMES, INC. (US) 2012-01-19 US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. 2011-01-20 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 (13 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-20160318869-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE ALDH1A1 599/4885LMNA 1349/4885HSD17B10 615/4885
US-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L ALDH1A1 113/4885LMNA 2901/4885HSD17B10 150/4885
US-10011569-B2 Process for synthesizing oxidized lactam compounds COASY, DHPS, OXA1L ALDH1A1 113/4885LMNA 2901/4885HSD17B10 150/4885
US-20130096089-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE ALDH1A1 599/4885LMNA 1349/4885HSD17B10 615/4885
US-20140051852-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L ALDH1A1 113/4885LMNA 2901/4885HSD17B10 150/4885
US-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ALDH1A1 599/4885LMNA 1349/4885HSD17B10 615/4885
US-20170015659-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 ALDH1A1 1082/4885LMNA 2642/4885HSD17B10 1281/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 ALDH1A1 1082/4885LMNA 2642/4885HSD17B10 1281/4885
US-20140350254-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE ALDH1A1 599/4885LMNA 1349/4885HSD17B10 615/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB ALDH1A1 307/4885LMNA 1728/4885HSD17B10 501/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B ALDH1A1 760/4885LMNA 3322/4885HSD17B10 271/4885
US-20120015866-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 ALDH1A1 172/4885LMNA 2731/4885HSD17B10 263/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ALDH1A1 599/4885LMNA 1349/4885HSD17B10 615/4885

“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.