SCHEMBL25328339

SCHEMBL25328339

CCc1cc(OC(C)C)cc(CC)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
ALDH1A1 P00352 3/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.38
PARP10 Q53GL7 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 1/20 0.37
ERN1 O75460 1/20 0.36
ALDH1A3 P47895 1/20 0.35

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
SCHEMBL32689520 0.89 ALDH1A1 (0.36) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28974927 0.89 ALDH1A1 (0.36) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3719585 0.79 ALDH1A1 (0.49) ALDH1A1POLBKMT2APARP10GLA
SCHEMBL30367572 0.79 ALDH1A1 (0.49) ALDH1A1POLBKMT2APARP10GLA
SCHEMBL5017375 0.78 GABRA1 (0.48) GABRA1GABRB2ALOX15ALOX12CYP1A2
SCHEMBL25328657 0.76 GABRA1 (0.39) GABRA1GABRB2ALDH1A1ALOX15ALOX12
SCHEMBL5078639 0.76 GABRA1 (0.46) GABRA1GABRB2ALDH1A1POLBKMT2A
SCHEMBL23838444 0.75 ALDH1A1 (0.49) ALDH1A1POLBKMT2APARP10GLA
SCHEMBL9804445 0.74 BCL2 (0.47)
SCHEMBL25329709 0.74 GABRA1 (0.44) GABRA1GABRB2ALDH1A1ALOX15ALOX12

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
US-12583813-B2 Polymerization inhibitors BASF SE (DE) 2026-03-24 US disclosed
US-20230242472-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2023-08-03 US disclosed
EP-4161892-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2023-04-12 EP disclosed
CN-115697954-A Polymerization inhibitor 巴斯夫欧洲公司 2023-02-03 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230242472-A1 POLYMERIZATION INHIBITORS RCE1, CABLES1, DPYD GABRA1 3598/4885GABRB2 2906/4885ALDH1A1 1314/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 GABRA1 1980/4885GABRB2 2597/4885ALDH1A1 32/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.