SCHEMBL5604749

SCHEMBL5604749

CC(O)C#Cc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.47
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
ESR1 P03372 3/20 0.41
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41

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
SCHEMBL28722213 0.82 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25306919 0.82 APP (0.52) APPESR1CA12CA2CA3
SCHEMBL8679335 0.81 CYP1A2 (0.41) APPGABRPGABRDGABRA1GABRB1
SCHEMBL12784452 0.80 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12784777 0.80 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4764499 0.80 GABRA1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16099001 0.80 GABRP (0.44) APPGABRPGABRDGABRA1GABRB1
SCHEMBL2078757 0.80 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3557030 0.80 CA2 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1657802 0.79 APP (0.50) APPGABRPGABRDGABRA1GABRB1

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
EP-1572612-B1 DIHALO-ALLYLOXY-PHENOL DERIVATIVES HAVING PESTICIDAL ACTIVITY SYNGENTA PARTICIPATIONS AG (CH) 2007-10-31 EP disclosed
US-20060014806-A1 Dihalo-allyloxy-phenol derivatives having pesticidal activity SYNGENTA CROP PROTECTION, INC. 2006-01-19 US disclosed
EP-1572612-A1 DIHALO-ALLYLOXY-PHENOL DERIVATIVES HAVING PESTICIDAL ACTIVITY Syngenta Participations AG (CH) 2005-09-14 EP disclosed
WO-2004052816-A1 DIHALO-ALLYLOXY-PHENOL DERIVATIVES HAVING PESTICIDAL ACTIVITY SYNGENTA PARTICIPATIONS AG (CH) 2004-06-24 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-20060014806-A1 Dihalo-allyloxy-phenol derivatives having pesticidal activity DDT, NR2E1, NR0B1 APP 2633/4885GABRP 3375/4885GABRD 2942/4885

“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.