SCHEMBL1095442

SCHEMBL1095442

CC(=O)OCC(C#N)c1cc(OC(F)F)ccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MAPT P10636 5/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ACACB O00763 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
Benzene SCHEMBL1095513 0.98 PPARG (0.36) SMN1; SMN2LMNAHTTTSHRNPSR1
SCHEMBL1095268 0.86 ALDH1A1 (0.39) SMN1; SMN2LMNAHTTTSHRNPSR1
SCHEMBL1096585 0.83 USP2 (0.41) SMN1; SMN2RAB9AALDH1A1GAANOTUM
SCHEMBL1095510 0.82 PPARG (0.41) SMN1; SMN2LMNARAB9ANPC1ALDH1A1
SCHEMBL1095274 0.82 LMNA (0.34) SMN1; SMN2LMNAHTTTSHRNPSR1
SCHEMBL1096567 0.81 FFAR4 (0.33) SMN1; SMN2LMNAHTTTSHRNPSR1
SCHEMBL1095255 0.81 PDE2A (0.39) NPSR1MAPTALDH1A1KDM4EMEN1
SCHEMBL1096284 0.80 KMT2A (0.39) SMN1; SMN2LMNAHTTTSHRMAPT
SCHEMBL1095252 0.78 CASP1 (0.42) TSHRMAPTALDH1A1
SCHEMBL1095536 0.77 NOTUM (0.33) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148854-B1 ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM STOUTAMIRE DONALD WESLEY (US) 2013-02-20 EP disclosed
US-8153688-B2 Esters of 2-phenylalkanenitriles and antifungal compositions containing them MCS Laboratories, Inc. (US) 2012-04-10 US disclosed
US-8153688-B2 Esters of 2-phenylalkanenitriles and antifungal compositions containing them MCS Laboratories, Inc. (US) 2012-04-10 US disclosed
EP-2148854-A2 ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM Stoutamire, Donald Wesley (US) 2010-02-03 EP disclosed
EP-2148854-A2 ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM Stoutamire, Donald Wesley (US) 2010-02-03 EP disclosed
US-20100022640-A1 ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM MCS LABORATORIES INC. 2010-01-28 US disclosed
US-20100022640-A1 ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM MCS LABORATORIES INC. 2010-01-28 US disclosed
US-7622504-B2 Esters of 2-phenylalkanenitriles and antifungal compositions containing them MCS Laboratories, Inc. (US) 2009-11-24 US disclosed
US-7622504-B2 Esters of 2-phenylalkanenitriles and antifungal compositions containing them MCS Laboratories, Inc. (US) 2009-11-24 US disclosed
WO-2008088538-A3 ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM STOUTAMIRE DONALD WESLEY (US) 2008-10-23 WO disclosed
WO-2008088538-A2 ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM STOUTAMIRE DONALD WESLEY (US) 2008-07-24 WO disclosed
WO-2008088538-A2 ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM STOUTAMIRE DONALD WESLEY (US) 2008-07-24 WO disclosed
US-20080153905-A1 Esters of 2-phenylalkanenitriles and antifungal compositions containing them MCS LABORATORIES INC. 2008-06-26 US disclosed
US-20080153905-A1 Esters of 2-phenylalkanenitriles and antifungal compositions containing them MCS LABORATORIES INC. 2008-06-26 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 (2 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-20100022640-A1 ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM CYP51A1, ERG28, AKR7A2 SMN1; SMN2 3717/4885LMNA 3014/4885HTT 2590/4885
US-20080153905-A1 Esters of 2-phenylalkanenitriles and antifungal compositions containing them CYP51A1, ERG28, AKR7A2 SMN1; SMN2 3717/4885LMNA 3014/4885HTT 2590/4885

“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.