SCHEMBL31127007

SCHEMBL31127007

O=C(C1=C(O[Mn]OC2=C(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)c3ccccc32)c2ccccc2C1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 4/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ CES2 O00748 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HKDC1 Q2TB90 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GPBAR1 Q8TDU6 3/20 0.37
▸ P2RX1 P51575 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ RHOC P08134 1/20 0.35
▸ RHOA P61586 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
SCHEMBL31127005 0.81 DHODH (0.46) TACR1CNR1CNR2CES2NPSR1
SCHEMBL31344466 0.74 CNR1 (0.38) TACR1CNR1CNR2CES2MEN1
SCHEMBL3660211 0.68 CNR2 (0.71) TACR1CNR1CNR2CES2ALDH1A1
SCHEMBL16180051 0.67 CES2 (0.73) TACR1CNR1CNR2CES2P2RX1
SCHEMBL12834558 0.67 SRD5A2 (0.46) CNR2CES2NPSR1MEN1ALDH1A1
SCHEMBL31081586 0.65 CNR2 (0.66) CNR1CNR2CES2ALDH1A1LMNA
SCHEMBL13879148 0.64 NSD2 (0.43) TACR1MEN1ALDH1A1LMNAKMT2A
SCHEMBL13479786 0.64 CES2 (0.43) TACR1CNR1CNR2CES2ALDH1A1
SCHEMBL5310287 0.63 AKR1C3 (0.58) TACR1CNR1CNR2CES2ALDH1A1
SCHEMBL29001210 0.62 MEN1 (0.72) CES2NPSR1MEN1ALDH1A1LMNA

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-4683904-A1 COMPOUND OF FORMULA (I); ORGANIC ELECTRONIC DEVICE COMPRISING A COMPOUND OF FORMULA (I); DISPLAY DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE Novaled GmbH (DE) 2026-01-28 — — EP disclosed
EP-4684612-A1 AN ORGANIC ELECTRONIC DEVICE COMPRISING A SUBSTRATE, AN ANODE LAYER, A CATHODE LAYER, AT LEAST ONE FIRST EMISSION LAYER, AND A HOLE INJECTION LAYER Novaled GmbH (DE) 2026-01-28 — — EP disclosed
WO-2024194322-A1 AN ORGANIC ELECTRONIC DEVICE COMPRISING A SUBSTRATE, AN ANODE LAYER, A CATHODE LAYER, AT LEAST ONE FIRST EMISSION LAYER, AND A HOLE INJECTION LAYER NOVALED GMBH (DE) 2024-09-26 — — WO disclosed
WO-2024194321-A1 COMPOUND OF FORMULA (I); ORGANIC ELECTRONIC DEVICE COMPRISING A COMPOUND OF FORMULA (I); DISPLAY DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE NOVALED GMBH (DE) 2024-09-26 — — WO disclosed
Send feedback