SCHEMBL31606754

SCHEMBL31606754

O=C(c1ccccc1)C(C=Cc1ccccc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.71
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 4/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
PLIN1 O60240 2/20 0.47
MAPT P10636 2/20 0.47
RECQL P46063 2/20 0.47
PLIN5 Q00G26 2/20 0.47
ABHD5 Q8WTS1 2/20 0.47
BCHE P06276 1/20 0.47
TNFRSF1A P19438 1/20 0.47
ACHE P22303 1/20 0.47
MAOB P27338 1/20 0.47
CYP1B1 Q16678 1/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC1 Q13547 3/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL1554954 0.77 TDP1 (0.57) CYP1A2TDP1L3MBTL1LMNACES2
SCHEMBL27326873 0.76 CYP1A2 (0.49) CYP1A2TDP1L3MBTL1LMNAPLIN1
Benzoin SCHEMBL27411924 0.76 LMNA (0.78) CYP1A2TDP1L3MBTL1LMNACES2
SCHEMBL5595149 0.72 CYP1A2 (0.45) CYP1A2TDP1L3MBTL1LMNACES2
SCHEMBL5595154 0.72 CYP1A2 (0.45) CYP1A2TDP1L3MBTL1LMNACES2
Isopropyl Alcohol SCHEMBL28255035 0.71 LMNA (0.53) CYP1A2TDP1L3MBTL1LMNACES2
SCHEMBL29110168 0.71 TSHR (0.47) CYP1A2TDP1L3MBTL1LMNACES1
SCHEMBL29110171 0.71 TSHR (0.47) CYP1A2TDP1L3MBTL1LMNACES1
SCHEMBL7169510 0.71 PAM (0.47) CYP1A2TDP1L3MBTL1LMNACES2
SCHEMBL7169505 0.71 PAM (0.47) CYP1A2TDP1L3MBTL1LMNACES2

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
CN-120078949-A Piezoelectric/conductive integrated hydrogel for repairing skull defect and application thereof 南方医科大学第三附属医院(广东省骨科研究院) 2025-06-03 CN claimed
CN-120078949-A Piezoelectric/conductive integrated hydrogel for repairing skull defect and application thereof 南方医科大学第三附属医院(广东省骨科研究院) 2025-06-03 CN disclosed