SCHEMBL30281117

SCHEMBL30281117

Cc1cc(C)c(C(=O)O)cc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
ALDH1A1 P00352 6/20 0.41
POLB P06746 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
ERN1 O75460 3/20 0.41
APEX1 P27695 2/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40

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
SCHEMBL12488767 1.00 GRIA1 (0.41) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL24891886 0.92 ALDH1A1 (0.42) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL18239280 0.89 KDM4E (0.42) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL21892969 0.83 ALDH1A1 (0.41) ALDH1A1POLBL3MBTL1TDP1ERN1
SCHEMBL12488904 0.82 ALDH1A1 (0.46) ALDH1A1POLBL3MBTL1TDP1ERN1
SCHEMBL17417205 0.82 KDM4E (0.43) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL20140570 0.82 ERN1 (0.40) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL12488947 0.81 GABRP (0.41) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL11843446 0.80 ALDH1A1 (0.49) ALDH1A1POLBTDP1ERN1KDM4E
SCHEMBL69934 0.79 KDM4E (0.50) ALDH1A1TDP1GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119191963-A Synthesis method of 5-formyl-2, 4-dimethylbenzoic acid 凯美克(上海)医药科技有限公司 2024-12-27 CN claimed
CN-119191963-A Synthesis method of 5-formyl-2, 4-dimethylbenzoic acid 凯美克(上海)医药科技有限公司 2024-12-27 CN disclosed
CN-119191963-A Synthesis method of 5-formyl-2, 4-dimethylbenzoic acid 凯美克(上海)医药科技有限公司 2024-12-27 CN disclosed
CN-119191963-A Synthesis method of 5-formyl-2, 4-dimethylbenzoic acid 凯美克(上海)医药科技有限公司 2024-12-27 CN disclosed
CN-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed