SCHEMBL16375006

SCHEMBL16375006

CCCCOc1c(OC(C)=O)c(C(=O)OC)c[n+](O)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PLA2G2A P14555 2/20 0.33
CCNE2 O96020 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 2/20 0.33

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
SCHEMBL9977607 0.88 CYP1A2 (0.36) ALOX5CYP1A2CYP2C19SMN1; SMN2L3MBTL1
SCHEMBL15015192 0.86 SMN1; SMN2 (0.36) ALOX5CYP1A2CYP2C19SMN1; SMN2L3MBTL1
SCHEMBL92981 0.77 CCNE2 (0.39) ALOX5CYP1A2CYP2C19SMN1; SMN2L3MBTL1
SCHEMBL16946102 0.73 CCNE2 (0.38) ALOX5CYP1A2CYP2C19SMN1; SMN2L3MBTL1
SCHEMBL92990 0.71 SMN1; SMN2 (0.40) ALOX5CYP1A2CYP2C19SMN1; SMN2L3MBTL1
SCHEMBL12697311 0.70 CYP1A2 (0.51) CYP1A2CYP2C19SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7095147 0.68 CYP1A2 (0.56) CYP1A2CYP2C19SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL82039 0.67 PTPN1 (0.46) CYP2C19SMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL15728540 0.65 L3MBTL1 (0.47) CYP1A2CYP2C19SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL17934385 0.65 TSHR (0.44) CYP1A2CYP2C19SMN1; SMN2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334858-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR HETERO RESEARCH FOUNDATION (IN) 2017-11-23 US disclosed
WO-2015001572-A2 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR HETERO RESEARCH FOUNDATION (IN) 2015-01-08 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 (1 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-20170334858-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR CYP3A4, DHPS, MVD ALOX5 1988/4885CYP1A2 42/4885CYP2C19 4/4885

“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.