SCHEMBL2603380

SCHEMBL2603380

Cc1ccc(C(C)C)c(OP(Oc2c(C)cc(C)cc2-c2cc(C)cc(C)c2OP(Oc2cc(C)ccc2C(C)C)c2ccccc2)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TYMS P04818 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL13799586 0.90 L3MBTL1 (0.31) LMNAL3MBTL1ALDH1A1TDP1TSHR
SCHEMBL10309813 0.74 TDP1 (0.33) L3MBTL1ALDH1A1TDP1TSHRKDM4E
SCHEMBL3418221 0.74 CYP1A2 (0.38) LMNAL3MBTL1TDP1TSHRNPSR1
SCHEMBL13455451 0.73 ABCB1 (0.32) KMT2AMEN1
SCHEMBL4433002 0.73 L3MBTL1 (0.39) LMNAL3MBTL1ALDH1A1TSHRSMN1; SMN2
SCHEMBL13199356 0.72 NPSR1 (0.35) LMNAL3MBTL1TSHRNPSR1KMT2A
SCHEMBL13199358 0.71 APEX1 (0.32) KDM4E
SCHEMBL14521866 0.71 IDO1 (0.31)
SCHEMBL13385705 0.70 HSD11B1 (0.30)
SCHEMBL3961009 0.70 LMNA (0.48) LMNAL3MBTL1ALDH1A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633700-B1 DINITRILE PREPARATION METHOD INVISTA TECH SARL (CH) 2012-04-25 EP disclosed
US-7897801-B2 Process for the preparation of dinitriles INVISTA NORTH AMERICA S.A R.L. (US) 2011-03-01 US disclosed
US-7897801-B2 Process for the preparation of dinitriles INVISTA NORTH AMERICA S.A R.L. (US) 2011-03-01 US disclosed
US-7777068-B2 Ni(0) -containing catalyst system BASF SE (DE) 2010-08-17 US disclosed
US-7612223-B2 Process for the hydrocyanation of unsaturated compounds INVISTA NORTH AMERICA S.A R.L. (US) 2009-11-03 US disclosed
US-7612223-B2 Process for the hydrocyanation of unsaturated compounds INVISTA NORTH AMERICA S.A R.L. (US) 2009-11-03 US disclosed
EP-1622863-B1 METHOD FOR THE HYDROCYANATION OF UNSATURATED COMPOUNDS RHODIA POLYAMIDE INTERMEDIATES (FR) 2008-08-13 EP 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-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-1438132-B1 Phosphonites used in catalyst systems for the addition of prussic acid to olefinic double bonds and for the isomerisation of organic nitriles BASF AG (DE) 2007-04-25 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 (3 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-20070155979-A1 Process for the hydrocyanation of unsaturated compounds DDT, DBN1, HPD LMNA 847/4885L3MBTL1 1921/4885ALDH1A1 1091/4885
US-20070260086-A1 Process for the Preparation of Dinitriles DDT, NIT2, NOS2 LMNA 1728/4885L3MBTL1 4457/4885ALDH1A1 1911/4885
US-20080071105-A1 NI(0) -CONTAINING CATALYST SYSTEM C1R, XDH, CBR1 LMNA 715/4885L3MBTL1 2732/4885ALDH1A1 3226/4885

“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.