SCHEMBL606249

SCHEMBL606249

C=CCC1CCCC(CC=C)N1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
CTNNB1 P35222 1/20 0.34
PRSS1 P07477 2/20 0.33
CTRC Q99895 2/20 0.33
F2 P00734 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
NOS3 P29474 1/20 0.31

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
SCHEMBL2695911 1.00 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL2695913 1.00 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL11126675 0.89 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL11653000 0.89 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL3260398 0.84 CYP2C9 (0.48) L3MBTL1SMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL7158350 0.75
SCHEMBL7155220 0.75
SCHEMBL1479655 0.75
SCHEMBL9545875 0.74 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2ALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL19285633 0.73

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421887-B1 METHOD FOR THE MANUFACTURE OF DEGARELIX POLYPEPTIDE LABORATORIES AS (DK) 2015-04-22 EP claimed
US-8828938-B2 Method for the manufacture of degarelix POLYPEPTIDE LABORATORIES A/S (DK) 2014-09-09 US claimed
EP-2421887-A1 METHOD FOR THE MANUFACTURE OF DEGARELIX Polypeptide Laboratories A/S (DK) 2012-02-29 EP claimed
US-20120041172-A1 METHOD FOR THE MANUFACTURE OF DEGARELIX POLYPEPTIDE LABORATORIES A/S (DK) 2012-02-16 US claimed
WO-2010121835-A1 METHOD FOR THE MANUFACTURE OF DEGARELIX POLYPEPTIDE LABORATORIES A/S (DK) 2010-10-28 WO claimed
US-4686200-A Catalyst for the polymerization of olefins TOHO TITANIUM CO., LTD. (JP) 1987-08-11 US claimed
US-4640906-A ORGANOALUMINUM COMPOUND, PIPERIDINE DERIVATIVE AND SOLID FROM DIALKOXYMAGNESIUM COMPOUND, AROMATIC DIESTER AND HALOGENATED HYDROCARBON TOHO TITANIUM CO., LTD. (JP) 1987-02-03 US claimed
CN-109134496-A A kind of novel synthesis of natural products (-)-Porantheridine 东莞理工学院 2019-01-04 CN disclosed
US-20150158020-A1 SYNTHESIS OF ZEOLITES USING AN ORGANOAMMONIUM COMPOUND UOP LLC 2015-06-11 US disclosed
EP-2421887-B1 METHOD FOR THE MANUFACTURE OF DEGARELIX POLYPEPTIDE LABORATORIES AS (DK) 2015-04-22 EP disclosed
US-8828938-B2 Method for the manufacture of degarelix POLYPEPTIDE LABORATORIES A/S (DK) 2014-09-09 US disclosed
EP-2421887-A1 METHOD FOR THE MANUFACTURE OF DEGARELIX Polypeptide Laboratories A/S (DK) 2012-02-29 EP disclosed
US-20120041172-A1 METHOD FOR THE MANUFACTURE OF DEGARELIX POLYPEPTIDE LABORATORIES A/S (DK) 2012-02-16 US disclosed
EP-0541747-B1 CROSS LINKABLE POLYMERIC COMPOSITION BOREALIS AS (DK) 1999-08-25 EP disclosed
EP-0768328-A1 Water-dispersable polyesters BASF Lacke und Farben AG (DE) 1997-04-16 EP disclosed
US-5420208-A Vinylsilane polymers, moisture-cure catalyst NESTE OY (FI) 1995-05-30 US disclosed
EP-0541747-A1 CROSS LINKABLE POLYMERIC COMPOSITION BOREALIS A/S (DK) 1993-05-19 EP disclosed
EP-0520752-A1 Stabilised polymer composition and use Borealis Holding A/S (DK) 1992-12-30 EP disclosed
WO-1992021721-A1 CROSS LINKABLE POLYMERIC COMPOSITION BP CHEMICALS LIMITED (GB) 1992-12-10 WO disclosed
EP-0501671-A2 Crosslinkable polymeric composition Borealis Holding A/S (DK) 1992-09-02 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 (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-20120041172-A1 METHOD FOR THE MANUFACTURE OF DEGARELIX DNPEP, PEPD, VIP L3MBTL1 4433/4885SMN1; SMN2 3651/4885ALDH1A1 2123/4885

“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.