SCHEMBL18010785

SCHEMBL18010785

C=CCn1cc(C(=O)OC)c(=O)c(OC)c1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 2/20 0.46
LMNA P02545 3/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
CNR2 P34972 1/20 0.39
NR4A2 P43354 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 1/20 0.38
BRD4 O60885 1/20 0.37
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL17967300 0.92 KMT2A (0.41) ALDH1A1HPGDKMT2ALMNAUSP2
SCHEMBL2601040 0.85 ALDH1A1 (0.45) ALDH1A1HPGDKMT2ALMNAUSP2
SCHEMBL19334681 0.82 LMNA (0.44) ALDH1A1HPGDKMT2ALMNAUSP2
SCHEMBL19245942 0.81 BRD4 (0.39) ALDH1A1HPGDKMT2ALMNANR4A2
SCHEMBL16239239 0.80 RAB9A (0.41) ALDH1A1HPGDKMT2ALMNANR4A2
SCHEMBL15064604 0.80 BRD4 (0.38) ALDH1A1HPGDKMT2ALMNANR4A2
SCHEMBL2601039 0.78 ALDH1A1 (0.44) ALDH1A1HPGDKMT2ALMNAUSP2
SCHEMBL19755582 0.78 BRD4 (0.37) ALDH1A1HPGDKMT2ALMNANR4A2
SCHEMBL16447915 0.78 BRD4 (0.37) ALDH1A1HPGDKMT2ALMNANR4A2
SCHEMBL12993194 0.77 HPGD (0.44) ALDH1A1HPGDKMT2ALMNAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10730888-B2 Process for the preparation of dolutegravir MYLAN LABORATORIES LIMITED (IN) 2020-08-04 US disclosed
US-10730888-B2 Process for the preparation of dolutegravir MYLAN LABORATORIES LIMITED (IN) 2020-08-04 US disclosed
CN-107531614-B Preparation method of delogevir 迈兰实验室有限公司 2020-04-10 CN disclosed
US-20180244693-A1 Process for the preparation of dolutegravir Mylan Laboratories Ltd. (IN) 2018-08-30 US disclosed
WO-2016125192-A2 PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR MYLAN LABORATORIES LIMITED (IN) 2016-08-11 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 (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-10730888-B2 Process for the preparation of dolutegravir SAMHD1, TYMP, DUT ALDH1A1 1421/4885HPGD 1012/4885KMT2A 2845/4885
US-20180244693-A1 Process for the preparation of dolutegravir SAMHD1, TYMP, DUT ALDH1A1 1421/4885HPGD 1012/4885KMT2A 2845/4885

“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.