SCHEMBL16620634

SCHEMBL16620634

O=C(CCCCC(=O)N(CCCO)CCCO)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CCR6 P51684 1/20 0.47
PAX8 Q06710 1/20 0.47
LMNA P02545 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
EPHX2 P34913 1/20 0.42
KDM4A O75164 1/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
PHF8 Q9UPP1 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
LPAR1 Q92633 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL16620860 0.87 KDM4A (0.52) ALOX5ALDH1A1MAPK1L3MBTL1CCR6
SCHEMBL247057 0.85 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1LMNAEPHX2
SCHEMBL16620540 0.84 ALDH1A1 (0.51) ALOX5ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL15561344 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1LMNAEPHX2
SCHEMBL7095353 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1LMNAEPHX2
SCHEMBL5793190 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1LMNAEPHX2
SCHEMBL905734 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1LMNAEPHX2
SCHEMBL574387 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1LMNAEPHX2
SCHEMBL6387083 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1LMNAEPHX2
SCHEMBL7096279 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1LMNAEPHX2

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-3052134-B1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME (US) 2021-05-05 EP disclosed
CN-105792852-B Glucose-responsive insulin conjugates 默沙东公司 2019-12-10 CN disclosed
US-20180110863-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2018-04-26 US disclosed
EP-3280450-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES Merck Sharp & Dohme Corp. (US) 2018-02-14 EP disclosed
US-9889205-B2 Glucose-responsive insulin conjugates MERCK SHARP & DOHME CORP. (US) 2018-02-13 US disclosed
US-9884125-B2 Glucose-responsive insulin conjugates MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-20160303244-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2016-10-20 US disclosed
WO-2016164288-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2016-10-13 WO disclosed
US-20160251407-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2016-09-01 US disclosed
US-9427475-B2 Glucose-responsive insulin conjugates MERCK SHARP & DOHME CORP. (US) 2016-08-30 US disclosed
EP-3052134-A2 GLUCOSE-RESPONSIVE INSULIN CONJUGATES Merck Sharp & Dohme Corp. (US) 2016-08-10 EP disclosed
US-20150105317-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME LLC 2015-04-16 US disclosed
WO-2015051052-A2 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2015-04-09 WO 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 (4 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-20180110863-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 ALOX5 4820/4885ALDH1A1 3422/4885MAPK1 1186/4885
US-20150105317-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 ALOX5 4834/4885ALDH1A1 3285/4885MAPK1 1090/4885
US-20160251407-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 ALOX5 4831/4885ALDH1A1 3459/4885MAPK1 1013/4885
US-20160303244-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, INSR, IRS1 ALOX5 4834/4885ALDH1A1 3285/4885MAPK1 1090/4885

“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.