SCHEMBL15084366

SCHEMBL15084366

COc1c(C(=O)O)n(CC(OC)OC)cc(C(=O)O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
CHRM1 P11229 2/20 0.38
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
ABCC4 O15439 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
APEX1 P27695 1/20 0.33
MAPT P10636 1/20 0.33
PLK1 P53350 1/20 0.32
GSK3B P49841 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
SCHEMBL15084354 0.91 BRD4 (0.36) HSD17B10KDM4EALDH1A1HPGDTSHR
SCHEMBL2415069 0.91 KDM4E (0.38) HSD17B10KDM4EALDH1A1HPGDTSHR
SCHEMBL21120535 0.89 HSD17B10 (0.38) HSD17B10KDM4EALDH1A1HPGDTSHR
SCHEMBL17934305 0.88 KDM4E (0.37) HSD17B10KDM4EALDH1A1HPGDTSHR
SCHEMBL17928509 0.83 CHRM1 (0.38) HSD17B10KDM4EALDH1A1HPGDTSHR
SCHEMBL15064604 0.82 BRD4 (0.38) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL16447915 0.81 BRD4 (0.37) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL18567026 0.81 HTT (0.35) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL15913967 0.81 RAB9A (0.39) HSD17B10KDM4EALDH1A1HPGDTSHR
SCHEMBL15084306 0.80 KDM4E (0.43) HSD17B10KDM4EALDH1A1HPGDTSHR

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
CN-116003435-A Efficient green preparation method of dolutegravir 河南师范大学 2023-04-25 CN claimed
CN-115746022-A Preparation method and application of caspovir derivative 河南科技大学 2023-03-07 CN claimed
EP-2549870-B1 PROCESS FOR PREPARING CARBAMOYLPYRIDONE DERIVATIVES AND INTERMEDIATES VIIV HEALTHCARE CO (US) 2017-04-19 EP claimed
CN-116003435-A Efficient green preparation method of dolutegravir 河南师范大学 2023-04-25 CN disclosed
CN-115746022-A Preparation method and application of caspovir derivative 河南科技大学 2023-03-07 CN disclosed
US-20170368040-A1 Processes for Preparing Dolutegravir and Cabotegravir and Analogues Thereof LEK PHARMACEUTICALS D.D. (SI) 2017-12-28 US disclosed
EP-3260457-A1 PROCESS FOR PREPARING CARBAMOYLPYRIDONE DERIVATIVES AND INTERMEDIATES VIIV Healthcare Company (US) 2017-12-27 EP disclosed
EP-3045461-A1 Processes for preparing dolutegravir and analogues thereof LEK Pharmaceuticals d.d. (SI) 2016-07-20 EP disclosed
US-20130172551-A1 Process for Preparing Carbamolypyridone Derivatives and Intermediates VIIV HEALTHCARE COMPANY 2013-07-04 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 (2 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-20170368040-A1 Processes for Preparing Dolutegravir and Cabotegravir and Analogues Thereof SAMHD1, TYMP, DUT HSD17B10 1658/4885KDM4E 1846/4885ALDH1A1 1922/4885
US-20130172551-A1 Process for Preparing Carbamolypyridone Derivatives and Intermediates CPS1, CYP3A4, DHPS HSD17B10 1957/4885KDM4E 633/4885ALDH1A1 2141/4885

“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.