SCHEMBL16594367

SCHEMBL16594367

c1ccc(OCCOCCOCc2ccc3ccccc3c2)c(OCCOCCOCc2ccc3ccccc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
REN P00797 3/20 0.45
NCF1 P14598 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
ALOX5 P09917 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR7 P34969 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
SCHEMBL22261686 1.00 KDM4E (0.56) KDM4EMAPK1TDP1RAB9ANPC1
SCHEMBL21184479 1.00 KDM4E (0.56) KDM4EMAPK1TDP1RAB9ANPC1
SCHEMBL21184540 0.84 KDM4E (0.43) KDM4EMAPK1TDP1RAB9ANPC1
SCHEMBL22261769 0.84 KDM4E (0.43) KDM4EMAPK1TDP1RAB9ANPC1
SCHEMBL22261767 0.84 KDM4E (0.43) KDM4EMAPK1TDP1RAB9ANPC1
SCHEMBL12308438 0.81 KDM4E (0.49) KDM4EMAPK1TDP1RAB9ANPC1
SCHEMBL25753060 0.81 KDM4E (0.49) KDM4EMAPK1TDP1RAB9ANPC1
SCHEMBL16594734 0.81 CYP1A2 (0.53) KDM4EMAPK1TDP1RAB9ANPC1
SCHEMBL16594921 0.81 CYP1A2 (0.53) KDM4EMAPK1TDP1RAB9ANPC1
SCHEMBL25753059 0.81 KDM4E (0.49) KDM4EMAPK1TDP1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052465-B1 POLYFUNCTIONALIZED POLYETHYLENE AND POLYPROPYLENE GLYCOL USEFUL AS TRACERS RESMAN AS (NO) 2020-07-29 EP claimed
US-10364217-B2 Chemical compounds RESMAN AS (NO) 2019-07-30 US claimed
EP-3052465-A1 CHEMICAL COMPOUNDS Resman AS (NO) 2016-08-10 EP claimed
US-20160214930-A1 CHEMICAL COMPOUNDS RESMAN AS (NO) 2016-07-28 US claimed
WO-2015047105-A1 CHEMICAL COMPOUNDS RESMAN AS (NO) 2015-04-02 WO claimed
US-20150094240-A1 CHEMICAL COMPOUNDS RESMAN AS (NO) 2015-04-02 US claimed
EP-3052465-B1 POLYFUNCTIONALIZED POLYETHYLENE AND POLYPROPYLENE GLYCOL USEFUL AS TRACERS RESMAN AS (NO) 2020-07-29 EP 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 (3 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-20160214930-A1 CHEMICAL COMPOUNDS PTGES, PTGIS, PTGFR KDM4E 4601/4885MAPK1 2127/4885TDP1 2958/4885
US-20150094240-A1 CHEMICAL COMPOUNDS PTGES, PTGIS, PTGFR KDM4E 4601/4885MAPK1 2127/4885TDP1 2958/4885
US-10364217-B2 Chemical compounds PTGES, PTGIS, PTGFR KDM4E 4601/4885MAPK1 2127/4885TDP1 2958/4885

“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.