SCHEMBL3101316

SCHEMBL3101316

CCOC(C)(OCC)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.56
CTNNB1 P35222 1/20 0.56
GAA P10253 1/20 0.51
MGLL Q99685 2/20 0.50
ALDH1A1 P00352 4/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL6855436 0.88 BCL9 (0.56) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL14495188 0.85 BCL9 (0.59) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL15908462 0.83 BCL9 (0.56) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL20931042 0.82 BCL9 (0.59) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL1533872 0.82 BCL9 (0.52) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL4941164 0.81 ELANE (0.61) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL3310085 0.80 GAA (0.58) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL21853704 0.78 GAA (0.57) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL27301103 0.78 GAA (0.57) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL12691183 0.78 ELANE (0.54) BCL9CTNNB1GAAMGLLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10413594-B2 Conjugates of somatostatin analogues PROLYNX LLC (US) 2019-09-17 US disclosed
US-20180296648-A1 CONJUGATES OF SOMATOSTATIN ANALOGUES PROLYNX LLC (US) 2018-10-18 US disclosed
US-10086049-B2 Conjugates of somatostatin analogues PROLYNX LLC (US) 2018-10-02 US disclosed
CN-106232131-A Conjugates of somatostatin and analogs thereof 普洛林克斯有限责任公司 2016-12-14 CN disclosed
US-20160271227-A1 CONJUGATES OF SOMATOSTATIN ANALOGUES PROLYNX LLC (US) 2016-09-22 US disclosed
EP-3060230-A1 CONJUGATES OF SOMATOSTATIN AND ITS ANALOGS Prolynx LLC (US) 2016-08-31 EP disclosed
WO-2015061503-A1 CONJUGATES OF SOMATOSTATIN AND ITS ANALOGS PROLYNX LLC (US) 2015-04-30 WO disclosed
US-7803816-B2 MCH receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
EP-1934199-B1 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-04-22 EP disclosed
CN-101273026-A Indane derivatives as MCH receptor antagonists HOFFMANN LA ROCHE (CH) 2008-09-24 CN disclosed
EP-1934199-A2 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
WO-2007039462-A2 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070078165-A1 MCH receptor antagonists BERTHEL STEVEN J 2007-04-05 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 (5 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-20070078165-A1 MCH receptor antagonists MCHR1, MCHR2, MC5R BCL9 4291/4885CTNNB1 3436/4885GAA 1229/4885
US-20180296648-A1 CONJUGATES OF SOMATOSTATIN ANALOGUES SSTR4, SSTR3, SSTR2 BCL9 3918/4885CTNNB1 4818/4885GAA 593/4885
US-20160271227-A1 CONJUGATES OF SOMATOSTATIN ANALOGUES SSTR4, SSTR3, SSTR2 BCL9 3918/4885CTNNB1 4818/4885GAA 593/4885
US-10413594-B2 Conjugates of somatostatin analogues SSTR4, SSTR3, SSTR2 BCL9 3918/4885CTNNB1 4818/4885GAA 593/4885
US-10086049-B2 Conjugates of somatostatin analogues SSTR4, SSTR3, SSTR2 BCL9 3918/4885CTNNB1 4818/4885GAA 593/4885

“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.