SCHEMBL20110896

SCHEMBL20110896

O=S(=O)(O)CCOCCOc1ccc2ccccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.70
MAPK1 P28482 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
NPC1 O15118 1/20 0.60
MAPT P10636 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PTPN7 P35236 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NCF1 P14598 6/20 0.47
HRAS P01112 1/20 0.46
KRAS P01116 1/20 0.46
HDAC1 Q13547 1/20 0.46
PPARG P37231 2/20 0.45
PPARD Q03181 2/20 0.45
PPARA Q07869 2/20 0.45
CPT2 P23786 1/20 0.45
CPT1A P50416 1/20 0.45
CPT1B Q92523 1/20 0.45
AGXT P21549 2/20 0.45

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
SCHEMBL20110894 0.91 KDM4E (0.66) KDM4EMAPK1TDP1NPC1MAPT
SCHEMBL18775628 0.91 KDM4E (0.58) KDM4EMAPK1TDP1NPC1MAPT
SCHEMBL15726984 0.86 KDM4E (0.56) KDM4EMAPK1TDP1NPC1MAPT
SCHEMBL4067116 0.85 KDM4E (0.70) KDM4EMAPK1TDP1NPC1MAPT
SCHEMBL8674825 0.83 TDP1 (1.00) KDM4EMAPK1TDP1NPC1MAPT
SCHEMBL15657734 0.83 TDP1 (1.00) KDM4EMAPK1TDP1NPC1MAPT
SCHEMBL8673201 0.83 TDP1 (1.00) KDM4EMAPK1TDP1NPC1MAPT
SCHEMBL14356067 0.80 KDM4E (0.61) KDM4EMAPK1TDP1NPC1MAPT
SCHEMBL9339737 0.79 KDM4E (0.60) KDM4EMAPK1TDP1NPC1MAPT
SCHEMBL16021964 0.79 KDM4E (0.82) KDM4EMAPK1TDP1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118671-A1 BETA-NAPHTHOL ETHER SULFONATES, PROCESSES FOR PREPARING THEM AND USE THEREOF AS BRIGHTNESS IMPROVERS BASF SE (DE) 2018-05-03 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 (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-20180118671-A1 BETA-NAPHTHOL ETHER SULFONATES, PROCESSES FOR PREPARING THEM AND USE THEREOF AS BRIGHTNESS IMPROVERS LBR, IK, NES KDM4E 4380/4885MAPK1 1775/4885TDP1 3855/4885

“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.