SCHEMBL31127005

SCHEMBL31127005

O=C(C1=C(O)c2ccccc2C1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.46
▸ CNR2 P34972 3/20 0.46
▸ CNR1 P21554 2/20 0.46
▸ CES2 O00748 2/20 0.43
▸ TACR1 P25103 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HKDC1 Q2TB90 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ P2RX1 P51575 2/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ APAF1 O14727 1/20 0.39
▸ TDP2 O95551 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GPBAR1 Q8TDU6 1/20 0.38

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
SCHEMBL31127007 0.81 TACR1 (0.40) CNR2CNR1CES2TACR1MEN1
SCHEMBL31127008 0.73 APAF1 (0.48) DHODHMEN1ALDH1A1LMNAKMT2A
SCHEMBL3660211 0.72 CNR2 (0.71) CNR2CNR1CES2TACR1ALDH1A1
SCHEMBL31344467 0.71 CNR2 (0.44) CNR2CNR1CES2TACR1MEN1
SCHEMBL16180051 0.71 CES2 (0.73) CNR2CNR1CES2TACR1P2RX1
SCHEMBL12834558 0.71 SRD5A2 (0.46) CNR2CES2MEN1ALDH1A1LMNA
SCHEMBL31081586 0.69 CNR2 (0.66) CNR2CNR1CES2ALDH1A1LMNA
SCHEMBL24574910 0.68 ALDH1A1 (0.66) TACR1ALDH1A1LMNAP2RX1P2RX7
SCHEMBL11210670 0.67 CNR2 (0.63) CNR2CNR1CES2MEN1ALDH1A1
SCHEMBL5310287 0.67 AKR1C3 (0.58) CNR2CNR1CES2TACR1ALDH1A1

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
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