SCHEMBL3734867

SCHEMBL3734867

CCOC(=N)c1cc(OC)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALDH1A1 P00352 4/20 0.45
TSHR P16473 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44

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
Hydrochloric Acid SCHEMBL3734866 0.98 MAPT (0.49) MAPTHTTNPSR1MEN1KMT2A
Hydrochloric Acid SCHEMBL4676897 0.85 ALDH1A1 (0.50) MAPTHTTMEN1KMT2ACA12
SCHEMBL7962857 0.83 MTNR1A (0.41) MAPTHTTNPSR1MEN1KMT2A
SCHEMBL8241976 0.82 KDM4E (0.46) MAPTNPSR1MEN1KMT2ACA12
SCHEMBL943328 0.82 LMNA (0.54) MAPTHTTNPSR1MEN1KMT2A
SCHEMBL24766735 0.81 MAPT (0.53) MAPTHTTNPSR1MEN1KMT2A
Hydrochloric Acid SCHEMBL2769841 0.81 KDM4E (0.45) MAPTNPSR1MEN1KMT2ACA12
Hydrochloric Acid SCHEMBL944551 0.81 LMNA (0.52) MAPTHTTNPSR1MEN1KMT2A
SCHEMBL29191709 0.80 MEN1 (0.62) MAPTHTTNPSR1MEN1KMT2A
Hydrochloric Acid SCHEMBL4693806 0.80 LMNA (0.39) HTTMEN1KMT2ACA12CA1

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
EP-1622866-B1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2012-07-25 EP disclosed
US-7825260-B2 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2010-11-02 US disclosed
US-20060211656-A1 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2006-09-21 US disclosed
EP-1622866-A1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS Novartis AG (CH) 2006-02-08 EP disclosed
WO-2004096757-A1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2004-11-11 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 (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-20060211656-A1 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators S1PR1, S1PR3, S1PR2 MAPT 3855/4885HTT 4777/4885NPSR1 65/4885

“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.