SCHEMBL9514686

SCHEMBL9514686

CCCCc1ccc(NCc2ccc(OCC)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
L3MBTL1 Q9Y468 4/20 0.58
ALDH1A1 P00352 4/20 0.58
GAA P10253 4/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 3/20 0.58
MEN1 O00255 2/20 0.58
APP P05067 1/20 0.58
ALOX15 P16050 1/20 0.58
ALOX12 P18054 1/20 0.58
MAPK1 P28482 1/20 0.58
SNCA P37840 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HPGD P15428 2/20 0.50
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 2/20 0.47
FFAR1 O14842 1/20 0.47

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
SCHEMBL9514776 0.92 CACNA1B (0.53) MAPTL3MBTL1ALDH1A1GAAKMT2A
SCHEMBL3272089 0.88 MAPT (0.69) MAPTL3MBTL1ALDH1A1GAAKMT2A
SCHEMBL854985 0.86 MEN1 (0.57) MAPTL3MBTL1ALDH1A1GAAKMT2A
SCHEMBL8986268 0.85 NQO1 (0.61) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL25548716 0.83 NQO1 (0.58) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL6394149 0.82 CACNA1B (0.50) ALDH1A1KMT2AMEN1MAPK1LMNA
SCHEMBL28191314 0.81 MAPT (0.71) MAPTL3MBTL1ALDH1A1GAAKMT2A
SCHEMBL25485 0.80 POLB (0.64) MAPTL3MBTL1ALDH1A1GAAKMT2A
SCHEMBL11934781 0.80 HPGD (0.47) MAPTL3MBTL1ALDH1A1GAAKMT2A
SCHEMBL854394 0.80 HTT (0.59) ALDH1A1KMT2AMEN1HTTFFAR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120031147-A Sample for liquid nuclear magnetic resonance quantum computation and preparation method thereof 深圳量旋科技有限公司 2025-05-23 CN claimed
CN-120031147-A Sample for liquid nuclear magnetic resonance quantum computation and preparation method thereof 深圳量旋科技有限公司 2025-05-23 CN disclosed
EP-0187768-B1 LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS FERGASON JAMES L (US) 1993-11-03 EP disclosed
EP-0187768-A4 LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS. FERGASON JAMES L 1989-03-09 EP disclosed
EP-0187768-A1 LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS. FERGASON JAMES L 1986-07-23 EP disclosed
WO-1985005467-A1 LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS FERGASON JAMES L 1985-12-05 WO disclosed
US-4385844-A THERMOSENSITIVE NON-CHLOLESTERIC COMPOUND AND ALKYLBENZOATE LIQUID CRYSTALS BECTON, DICKINSON AND COMPANY (US) 1983-05-31 US disclosed
US-4296631-A AND METHOD OF MODIFYING THE HYSTERETIC BEHAVIOR BECTON, DICKINSON AND COMPANY (US) 1981-10-27 US disclosed
US-4140016-A CHOLESTERIC LIQUID CRYSTAL THERMOMETERS, BENZOIC ESTER DERIVATIVES BECTON, DICKINSON AND COMPANY (US) 1979-02-20 US disclosed