SCHEMBL2603671

SCHEMBL2603671

Cc1cc(C)c(OP(Oc2ccccc2C)Oc2ccccc2C)c(-c2cc(C)cc(C)c2OP(Oc2ccccc2C)Oc2ccccc2C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
LMNA P02545 2/20 0.34
TSHR P16473 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
ALDH1A1 P00352 2/20 0.31
F2 P00734 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
SCHEMBL13325298 0.90 MAPT (0.31) MAPTL3MBTL1
SCHEMBL2603177 0.89 MAPT (0.30) MAPTL3MBTL1
SCHEMBL14430030 0.88 MAPT (0.32) MAPTL3MBTL1LMNA
SCHEMBL13767306 0.88
SCHEMBL14462077 0.85 L3MBTL1 (0.36) MAPTL3MBTL1TSHRNPC1RAB9A
SCHEMBL12707930 0.81 TSHR (0.38) MAPTL3MBTL1LMNATSHRNPC1
SCHEMBL215848 0.80 TSHR (0.46) MAPTLMNATSHRNPC1RAB9A
SCHEMBL27387712 0.80 TSHR (0.46) MAPTLMNATSHRNPC1RAB9A
SCHEMBL29405565 0.80 TSHR (0.46) MAPTLMNATSHRNPC1RAB9A
SCHEMBL12810471 0.79 L3MBTL1 (0.42) MAPTL3MBTL1LMNATSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493405-B2 Method for producing linear pentenenitrile BASF SE (DE) 2016-11-15 US disclosed
US-9493405-B2 Method for producing linear pentenenitrile BASF SE (DE) 2016-11-15 US disclosed
US-20160168082-A1 METHOD FOR PRODUCING LINEAR PENTENENITRILE BASF SE (DE) 2016-06-16 US disclosed
US-20160168082-A1 METHOD FOR PRODUCING LINEAR PENTENENITRILE BASF SE (DE) 2016-06-16 US disclosed
EP-1472201-B1 METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS BASF SE (DE) 2014-08-13 EP disclosed
US-8410299-B2 Method for producing linear pentenenitrile BASF SE (DE) 2013-04-02 US disclosed
US-8410299-B2 Method for producing linear pentenenitrile BASF SE (DE) 2013-04-02 US disclosed
US-8373001-B2 Method of producing dinitrile compounds INVISTA NORTH AMERICA S.A R.L. (US) 2013-02-12 US disclosed
US-8373001-B2 Method of producing dinitrile compounds INVISTA NORTH AMERICA S.A R.L. (US) 2013-02-12 US disclosed
US-20120178958-A1 METHOD FOR PRODUCING LINEAR PENTENENITRILE BASF SE* (DE) 2012-07-12 US disclosed
US-20080071105-A1 NI(0) -CONTAINING CATALYST SYSTEM BASF SE (DE) 2008-03-20 US disclosed
US-7345006-B2 Catalyst system containing Ni(0) for hydrocyanation BASF AKTIENGESELLSCHAFT (DE) 2008-03-18 US disclosed
US-7345006-B2 Catalyst system containing Ni(0) for hydrocyanation BASF AKTIENGESELLSCHAFT (DE) 2008-03-18 US disclosed
US-20070260086-A1 Process for the Preparation of Dinitriles INV NYLON CHEMICALS AMERICAS, LLC 2007-11-08 US disclosed
US-20070260086-A1 Process for the Preparation of Dinitriles INV NYLON CHEMICALS AMERICAS, LLC 2007-11-08 US disclosed
US-20070155978-A1 Method for producing dinitriles BASF AKTIENGESELLSCHAFT (DE) 2007-07-05 US disclosed
US-20070155978-A1 Method for producing dinitriles BASF AKTIENGESELLSCHAFT (DE) 2007-07-05 US disclosed
US-20070155979-A1 Process for the hydrocyanation of unsaturated compounds INV NYLON CHEMICALS AMERICAS, LLC 2007-07-05 US disclosed
US-20070155979-A1 Process for the hydrocyanation of unsaturated compounds INV NYLON CHEMICALS AMERICAS, LLC 2007-07-05 US disclosed
EP-1610893-B1 SYSTEM SUITABLE FOR THE HYDROCYANATION OF OLEFINICALLY UNSATURATED COMPOUNDS BASF AG (DE) 2007-03-07 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 (6 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-20160168082-A1 METHOD FOR PRODUCING LINEAR PENTENENITRILE METTL14, MSMO1, SPIN4 MAPT 773/4885L3MBTL1 438/4885LMNA 1293/4885
US-20070155979-A1 Process for the hydrocyanation of unsaturated compounds DDT, DBN1, HPD MAPT 4863/4885L3MBTL1 1921/4885LMNA 847/4885
US-20070155978-A1 Method for producing dinitriles ALKBH3, GLMN, GRHPR MAPT 3643/4885L3MBTL1 2931/4885LMNA 2057/4885
US-20120178958-A1 METHOD FOR PRODUCING LINEAR PENTENENITRILE METTL14, MBD2, ALKBH2 MAPT 415/4885L3MBTL1 208/4885LMNA 1541/4885
US-20070260086-A1 Process for the Preparation of Dinitriles DDT, NIT2, NOS2 MAPT 3518/4885L3MBTL1 4457/4885LMNA 1728/4885
US-20080071105-A1 NI(0) -CONTAINING CATALYST SYSTEM C1R, XDH, CBR1 MAPT 4631/4885L3MBTL1 2732/4885LMNA 715/4885

“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.