SCHEMBL172896

SCHEMBL172896

COc1ccc2c(c1)/C(=C/C#N)CO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
GAA P10253 1/20 0.48
ALOX12 P18054 1/20 0.48
APP P05067 3/20 0.44
MAOB P27338 6/20 0.43
CYP19A1 P11511 2/20 0.42
CYP3A4 P08684 4/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 3/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL5226377 0.86 GAA (0.40) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL95701 0.80 CYP19A1 (0.38) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL5226382 0.74 MAPK1 (0.40) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL4688568 0.73 CYP19A1 (0.56) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL31028072 0.73 CYP19A1 (0.56) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL4688774 0.73 CYP19A1 (0.56) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL4688567 0.73 CYP19A1 (0.56) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL172911 0.71 MAPT (0.63) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL7951337 0.71 CYP19A1 (0.47) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL1688133 0.71 CYP19A1 (0.47) MAPTALDH1A1KDM4ESMN1; SMN2NPC1

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 MAPT 383/4885ALDH1A1 162/4885KDM4E 958/4885

“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.