SCHEMBL13431468

SCHEMBL13431468

Cc1cc(OC(C)(C)C)cc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.46
▸ CA1 P00915 2/20 0.46
▸ ESR1 P03372 3/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PTGS1 P23219 6/20 0.37
▸ PTGS2 P35354 6/20 0.37
▸ ALOX5 P09917 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ POLB P06746 1/20 0.34
▸ TYR P14679 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL14707597 0.84 SHBG (0.35) CA2CA1ESR1ESR2CYP1A2
SCHEMBL30356498 0.82 ESR1 (0.37) CA2CA1ESR1ESR2CYP1A2
SCHEMBL25328987 0.82 ESR1 (0.37) CA2CA1ESR1ESR2CYP1A2
SCHEMBL9789782 0.77 GABRA1 (0.42) CA2CA1PTGS2ALOX5ALDH1A1
SCHEMBL13449766 0.77 BACE1 (0.44) CA2CA1CYP2C9PTGS1PTGS2
SCHEMBL31376345 0.76 ERBB2 (0.36) CA2CA1ALDH1A1POLBTYR
SCHEMBL24171744 0.76 KIF11 (0.32) POLBKIF11
SCHEMBL3818720 0.76 ALDH1A1 (0.39) ALDH1A1KIF11
SCHEMBL7887616 0.76 ESR1 (0.52) ESR1ESR2CYP1A2CYP2C9CYP2C19
SCHEMBL14707599 0.75 SHBG (0.42) CYP1A2CYP2C9CYP2C19SMN1; SMN2CYP2D6

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
CN-115697954-A Polymerization inhibitor 巴斯夫欧洲公司 2023-02-03 — — CN disclosed
US-7678877-B2 Process for the synthesis of polyalkylphenol antioxidants POLNOX CORPORATION (US) 2010-03-16 — — US 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 CA2 2500/4885CA1 1844/4885ESR1 3959/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 CA2 2252/4885CA1 1940/4885ESR1 2282/4885

“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.

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