SCHEMBL95701

SCHEMBL95701

Cc1ccc2c(c1)/C(=C/C#N)CO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.38
MAPT P10636 6/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MMP12 P39900 1/20 0.37
PGR P06401 1/20 0.36
DHODH Q02127 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 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
SCHEMBL31028101 0.84 PIK3CA (0.38) CYP19A1MAPTMAPK1L3MBTL1HTT
SCHEMBL31028079 0.70 CYP19A1 (0.53) CYP19A1
SCHEMBL3200278 0.69 APP (0.48) CYP19A1MMP12DHODHMEN1KMT2A
SCHEMBL3200283 0.69 APP (0.48) CYP19A1MMP12DHODHMEN1KMT2A
SCHEMBL95448 0.68 MMP12 (0.51) CYP19A1MAPTMAPK1L3MBTL1HTT
SCHEMBL12311607 0.68 MEN1 (0.46) CYP19A1MAPTMAPK1L3MBTL1HTT
SCHEMBL12856859 0.68 MMP12 (0.43) CYP19A1MAPTMAPK1L3MBTL1HTT
SCHEMBL14065573 0.68 RXRA (0.44) CYP19A1MAPTSMN1; SMN2CYP1A2ALDH1A1
SCHEMBL31028093 0.67 PARP10 (0.40) CYP19A1MAPTSMN1; SMN2HPGDKDM4E
SCHEMBL8773544 0.66 MMP12 (0.49) CYP19A1MAPTHTTSMN1; SMN2HPGD

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-20120059053-A1 COMPOUNDS OF 2,3-DIHYDRO-BENZOFURAN FERRER INTERNATIONAL, S.A. (ES) 2012-03-08 US disclosed
WO-2009053444-A1 COMPOUNDS OF 2,3-DIHYDRO-BENZOFURAN FERRER INTERNACIONAL, S.A. (ES) 2009-04-30 WO 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-20120059053-A1 COMPOUNDS OF 2,3-DIHYDRO-BENZOFURAN MTNR1A, MTNR1B, CRY2 CYP19A1 378/4885MAPT 383/4885MAPK1 4040/4885

“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.