SCHEMBL30944685

SCHEMBL30944685

O=Cc1cccc2cc(OCCO)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.43
PDE3A Q14432 3/20 0.43
P2RY12 Q9H244 3/20 0.43
CA1 P00915 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 4/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
PDE2A O00408 2/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
ERN1 O75460 1/20 0.38
ALDH2 P05091 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HPGD P15428 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
SCHEMBL12143559 0.88 CA12 (0.41) CA1CA12CA9ALDH1A1KDM4E
SCHEMBL10064747 0.83 TSHR (0.46) TDP1GAA
SCHEMBL4872417 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EMAPK1TDP1GAA
SCHEMBL3844038 0.82 TSHR (0.48) TDP1GAA
SCHEMBL27396512 0.80 MAPT (0.49) KDM4EMAOBHTTCHRNA7MAPT
SCHEMBL26969806 0.79 SIRT2 (0.42) ALDH1A1KDM4ETDP1GAAERN1
SCHEMBL10591673 0.79 CA12 (0.46) CA1CA12CA9ALDH1A1GAA
SCHEMBL29563241 0.79 SIRT2 (0.42) ALDH1A1KDM4ETDP1GAAERN1
SCHEMBL29584474 0.78 KCNA3 (0.50) PDE3BPDE3AP2RY12CA1CA12
SCHEMBL2047083 0.78 KCNA3 (0.50) PDE3BPDE3AP2RY12CA1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676999-A1 SULFUR-CONTAINING HETEROCYCLIC COMPOUNDS AND THERMOPLASTIC RESINS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2026-01-14 EP disclosed
EP-4626854-A1 BINAPHTHYL COMPOUNDS AND THERMOPLASTIC RESINS Mitsubishi Gas Chemical Company, Inc. (JP) 2025-10-08 EP disclosed
WO-2024185904-A1 SULFUR-CONTAINING HETEROCYCLIC COMPOUNDS AND THERMOPLASTIC RESINS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-09-12 WO disclosed