SCHEMBL6900393

SCHEMBL6900393

CCCC(C)(C)COC(=O)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 3/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
ADRA1A P35348 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.33
ESR1 P03372 1/20 0.32
SOAT1 P35610 1/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL10087938 0.89 LMNA (0.41) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL6896820 0.86 LMNA (0.37) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL19359817 0.86 LMNA (0.37) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL6896885 0.86 LMNA (0.37) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL12120687 0.85 TSHR (0.34) LMNATSHRALDH1A1
SCHEMBL14991491 0.84 ALDH1A1 (0.48) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL10087944 0.80 ALDH1A1 (0.56) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL6895400 0.80 LMNA (0.38) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL21246104 0.79 LMNA (0.41) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL12044661 0.79 LMNA (0.42) LMNAHSD17B10TSHRCYP3A4NFKB1

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 21 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-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-09-21 US 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-20160024012-A1 Process for Synthesizing Oxidized Lactam Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-01-28 US disclosed
US-20160009713-A1 Prodrugs of Heteraromatic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-01-14 US disclosed
US-20150274670-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders MORGAN STANLEY SENIOR FUNDING, INC. 2015-10-01 US disclosed
US-9126936-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-09-08 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-20110275803-A1 PROCESS FOR SYNTHESIZING OXIDIZED LACTAM COMPOUNDS ALKERMES, INC. (US) 2011-11-10 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 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 LMNA 1349/4885HSD17B10 615/4885TSHR 1280/4885
US-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L LMNA 2901/4885HSD17B10 150/4885TSHR 4488/4885
US-10011569-B2 Process for synthesizing oxidized lactam compounds COASY, DHPS, OXA1L LMNA 2901/4885HSD17B10 150/4885TSHR 4488/4885
US-20130096089-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE LMNA 1349/4885HSD17B10 615/4885TSHR 1280/4885
US-20140051852-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L LMNA 2901/4885HSD17B10 150/4885TSHR 4488/4885
US-20160024012-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L LMNA 2901/4885HSD17B10 150/4885TSHR 4488/4885
US-20170015659-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 LMNA 2642/4885HSD17B10 1281/4885TSHR 3738/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 LMNA 2642/4885HSD17B10 1281/4885TSHR 3738/4885
US-20140350254-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE LMNA 1349/4885HSD17B10 615/4885TSHR 1280/4885
US-20110275803-A1 PROCESS FOR SYNTHESIZING OXIDIZED LACTAM COMPOUNDS COASY, DHPS, OXA1L LMNA 2901/4885HSD17B10 150/4885TSHR 4488/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B LMNA 3322/4885HSD17B10 271/4885TSHR 3059/4885
US-20150274670-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE LMNA 1349/4885HSD17B10 615/4885TSHR 1280/4885
US-20160009713-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 LMNA 2731/4885HSD17B10 263/4885TSHR 3744/4885

“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.