SCHEMBL16610086

SCHEMBL16610086

c1ccc(COCCOc2cc3ccccc3cc2OCCOCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ALOX5 P09917 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
STAT3 P40763 1/20 0.45
HTT P42858 1/20 0.45
NAAA Q02083 1/20 0.44
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
NCF1 P14598 3/20 0.41
CYP3A4 P08684 1/20 0.41
REN P00797 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
PDGFRB P09619 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
SCHEMBL21184488 0.98 KDM4E (0.50) TSHRALOX5TDP1KDM4EMAPK1
SCHEMBL21184489 0.98 KDM4E (0.50) TSHRALOX5TDP1KDM4EMAPK1
SCHEMBL16594254 0.98 KDM4E (0.50) TSHRALOX5TDP1KDM4EMAPK1
SCHEMBL21184503 0.98 KDM4E (0.50) TSHRALOX5TDP1KDM4EMAPK1
SCHEMBL16594485 0.98 KDM4E (0.50) TSHRALOX5TDP1KDM4EMAPK1
SCHEMBL16594320 0.98 KDM4E (0.50) TSHRALOX5TDP1KDM4EMAPK1
SCHEMBL21184515 0.85 TDP1 (0.45) TDP1KDM4EMAPK1SMN1; SMN2STAT3
SCHEMBL21184517 0.85 TDP1 (0.45) TDP1KDM4EMAPK1SMN1; SMN2STAT3
SCHEMBL22261716 0.85 TDP1 (0.45) TDP1KDM4EMAPK1SMN1; SMN2STAT3
SCHEMBL21184459 0.85 TDP1 (0.45) TDP1KDM4EMAPK1SMN1; SMN2STAT3

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-20160214930-A1 CHEMICAL COMPOUNDS RESMAN AS (NO) 2016-07-28 US disclosed
US-20150094240-A1 CHEMICAL COMPOUNDS RESMAN AS (NO) 2015-04-02 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-20160214930-A1 CHEMICAL COMPOUNDS PTGES, PTGIS, PTGFR TSHR 3608/4885ALOX5 42/4885TDP1 2958/4885
US-20150094240-A1 CHEMICAL COMPOUNDS PTGES, PTGIS, PTGFR TSHR 3608/4885ALOX5 42/4885TDP1 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.