SCHEMBL3690646

SCHEMBL3690646

C=CN1CCCC1=O.C=COC(=O)CC

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL109156 0.95 LMNA (0.32) LMNACA12CA1CA2CA3
SCHEMBL11637189 0.85 LMNA (0.33) LMNAKMT2ATSHRNPC1
SCHEMBL14796576 0.85 GAA (0.45) KMT2ATSHRALDH1A1
Acrylonitrile SCHEMBL28083337 0.85
SCHEMBL1068142 0.83 BRD4 (0.33) LMNACA12CA1CA2CA3
SCHEMBL1067025 0.83 BRD4 (0.33) LMNACA12CA1CA2CA3
SCHEMBL29127 0.83 BRD4 (0.33) LMNACA12CA1CA2CA3
SCHEMBL11318608 0.83 BRD4 (0.33) LMNACA12CA1CA2CA3
SCHEMBL5068820 0.83 BRD4 (0.33) LMNACA12CA1CA2CA3
Propionic Acid SCHEMBL28130435 0.83 LMNA (0.39) LMNACA12CA1CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812484-B1 CORE-SHELL PARTICLES MERCK PATENT GMBH (DE) 2008-12-03 EP claimed
US-20100221525-A1 NANOPARTICLES MERCK PATENT GESELLSCHAFT (DE) 2010-09-02 US disclosed
US-20100092761-A1 NANOPARTICLES MERCK PATENT GESELLSCHAFT (DE) 2010-04-15 US disclosed
EP-2152800-A1 CORE-SHELL PARTICLES WITH ENCAPSULATED BROAD SPECTRUM ABSORBER CONTRAST AGENT Unilever PLC (GB) 2010-02-17 EP disclosed
WO-2008141972-A1 CORE-SHELL PARTICLES WITH ENCAPSULATED BROAD SPECTRUM ABSORBER CONTRAST AGENT UNILEVER PLC (GB) 2008-11-27 WO disclosed
US-20080248289-A1 Zinc Oxide Nanoparticles MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US disclosed
US-20080093586-A1 Use Of Statistical Copolymers KOCH MATTHIAS 2008-04-24 US disclosed
US-20070282075-A1 Use Of Statistical Copolymers MERCK PATENT GMBH (DE) 2007-12-06 US disclosed
US-7291394-B2 Composite material containing a core-covering particle MERCK PATENT GMBH (DE) 2007-11-06 US disclosed
US-20070178307-A1 Use of core-shell particles MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2007-08-02 US disclosed
US-20050228072-A1 Composite material containing a core-covering particle MERCK PATENT GMBH (DE) 2005-10-13 US disclosed
US-20050145037-A1 Extension and upsetting sensor MERCK PATENT GMBH (DE) 2005-07-07 US disclosed
US-20050142343-A1 Moulded bodies consisting of core-shell particles MERCK PATENT GMBH (DE) 2005-06-30 US disclosed
US-20040253443-A1 Moulded bodies consisting of core-shell particles MERCK PATENT GMBH (DE) 2004-12-16 US disclosed
US-6337131-B1 Core-shell particles and preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 2002-01-08 US disclosed
EP-0807268-B1 CROSSLINKED TINTED POLYMERS NOVARTIS AG (CH) 1999-06-30 EP disclosed
US-5871675-A POLYVINYL ALCOHOL DERIVATIVES, CONTACT LENSES NOVARTIS AG. (CH) 1999-02-16 US disclosed
EP-0807268-A1 CROSSLINKED TINTED POLYMERS Novartis AG (CH) 1997-11-19 EP disclosed
US-5665840-A CONTACT LENSES, CROSSLINKED, HYDROLYSED VINYL ACETATE-VINYLPYRROLIDONE COPOLYMER NOVARTIS CORPORATION (US) 1997-09-09 US disclosed
WO-1996024076-A1 CROSSLINKED TINTED POLYMERS NOVARTIS AG (CH) 1996-08-08 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-20080093586-A1 Use Of Statistical Copolymers PDS5A, PDS5B, CD44 LMNA 3130/4885CA12 2363/4885CA1 3888/4885

“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.