SCHEMBL25625944

SCHEMBL25625944

O=c1c2ccc(-c3ccccc3)cc2oc2ccc(Br)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.55
GABRD O14764 3/20 0.55
GABRA1 P14867 3/20 0.55
GABRB1 P18505 3/20 0.55
GABRG2 P18507 3/20 0.55
GABRB3 P28472 3/20 0.55
GABRA5 P31644 3/20 0.55
GABRA3 P34903 3/20 0.55
GABRA2 P47869 3/20 0.55
GABRB2 P47870 3/20 0.55
GABRA4 P48169 3/20 0.55
GABRE P78334 3/20 0.55
GABRA6 Q16445 3/20 0.55
GABRG1 Q8N1C3 3/20 0.55
GABRG3 Q99928 3/20 0.55
GABRQ Q9UN88 3/20 0.55
HCRTR1 O43613 1/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL22172117 0.94 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4572496 0.92 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15199419 0.90 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4572443 0.90 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23505057 0.88 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30210290 0.88 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12181768 0.86 PLA2G2A (0.51) HCRTR1NPC1RAB9AATMPTPN2
SCHEMBL28114240 0.86 MAOA (0.58) HCRTR1NPC1RAB9AATMTTR
SCHEMBL10610131 0.84 MAOA (0.64) HCRTR1NPC1RAB9AATMPTPN2
SCHEMBL47040 0.84 PIM1 (0.51) GABRPGABRDGABRA1GABRB1GABRG2

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-20230192719-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2023-06-22 US disclosed
US-20230192719-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2023-06-22 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-20230192719-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT OR10J3, CRY1, RPS19 GABRP 3866/4885GABRD 3369/4885GABRA1 2704/4885

“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.