SCHEMBL14979489

SCHEMBL14979489

C/C(S)=C(\C)c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ACHE P22303 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 2/20 0.39
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HTT P42858 1/20 0.37
MYC P01106 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ELANE P08246 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
SCHEMBL9248001 0.80 TSHR (0.45) TSHRACHESMN1; SMN2HPGDERCC5
SCHEMBL16329878 0.78 HPGD (0.45) TSHRACHESMN1; SMN2HPGDERCC5
SCHEMBL4270217 0.77 TSHR (0.47) TSHRACHESMN1; SMN2HPGDERCC5
SCHEMBL10528507 0.76 TSHR (0.41) TSHRACHESMN1; SMN2HPGDERCC5
SCHEMBL15970521 0.76 MAOA (0.41) TSHRACHESMN1; SMN2HPGDERCC5
SCHEMBL28510555 0.76 TSHR (0.41) TSHRACHESMN1; SMN2HPGDERCC5
SCHEMBL4711341 0.74 NPC1 (0.43) TSHRACHESMN1; SMN2HPGDERCC5
SCHEMBL30357156 0.74 SMN1; SMN2 (0.43) TSHRACHESMN1; SMN2HPGDERCC5
SCHEMBL39369 0.74 TSHR (0.50) TSHRACHESMN1; SMN2HPGDERCC5
SCHEMBL2451836 0.74 TSHR (0.50) TSHRACHESMN1; SMN2HPGDERCC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895545-B2 Acrylamide derivatives as Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2014-11-25 US disclosed
US-20130267714-A1 BIDENTATE CHIRAL LIGANDS FOR USE IN CATALYTIC ASYMMETRIC ADDITION REACTIONS SOLVIAS AG (CH) 2013-10-10 US disclosed
US-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-09-12 US disclosed
US-8450501-B2 Bidentate chiral ligands for use in catalytic asymmetric addition reactions SOLVIAS AG (CH) 2013-05-28 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 (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-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC TSHR 3272/4885ACHE 1458/4885SMN1; SMN2 4763/4885
US-20130267714-A1 BIDENTATE CHIRAL LIGANDS FOR USE IN CATALYTIC ASYMMETRIC ADDITION REACTIONS C1R, PNISR, CBR1 TSHR 512/4885ACHE 1920/4885SMN1; SMN2 4699/4885

“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.