SCHEMBL1095779

SCHEMBL1095779

N#CCC(O)c1cc(OC(F)F)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 5/20 0.34
KMT2A Q03164 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
MEN1 O00255 3/20 0.34
RAB9A P51151 3/20 0.34
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNJ5 P48544 1/20 0.34

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
SCHEMBL1095274 0.77 LMNA (0.34) LMNASMN1; SMN2HTTTSHRKDM4E
SCHEMBL237226 0.75 ALDH1A1 (0.33) TSHRKMT2AMEN1
SCHEMBL2939017 0.73 KCNJ5 (0.39) LMNASMN1; SMN2HTTTSHRKDM4E
SCHEMBL17125208 0.72 THRB (0.39) LMNASMN1; SMN2TSHRGAAMAPT
SCHEMBL1095442 0.71 SMN1; SMN2 (0.35) LMNASMN1; SMN2HTTTSHRKDM4E
SCHEMBL1095109 0.70 SLC6A2 (0.36) LMNASMN1; SMN2HTTTSHRKDM4E
SCHEMBL18145858 0.70 KMT2A (0.34) SMN1; SMN2HTTTSHRKDM4EGAA
SCHEMBL18704103 0.70 ADRB2 (0.50) LMNATSHRKDM4EL3MBTL1MAPT
Benzene SCHEMBL1095513 0.70 PPARG (0.36) LMNASMN1; SMN2HTTTSHRKDM4E
SCHEMBL1096567 0.69 FFAR4 (0.33) LMNASMN1; SMN2HTTTSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153688-B2 Esters of 2-phenylalkanenitriles and antifungal compositions containing them MCS Laboratories, Inc. (US) 2012-04-10 US disclosed
US-20100022640-A1 ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM MCS LABORATORIES INC. 2010-01-28 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 (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-20100022640-A1 ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM CYP51A1, ERG28, AKR7A2 LMNA 3014/4885SMN1; SMN2 3717/4885HTT 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.