SCHEMBL23710752

SCHEMBL23710752

COc1cc2c(cc1O)C(c1ccc(O)c(O)c1)C(C)C(C)C2

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.78
CYP2D6 P10635 2/20 0.56
CYP3A4 P08684 1/20 0.52
CA2 P00918 2/20 0.44
NR3C1 P04150 2/20 0.44
MAOA P21397 2/20 0.42
ACHE P22303 1/20 0.41
HTR1A P08908 2/20 0.39
QDPR P09417 1/20 0.39
DRD1 P21728 2/20 0.39
DRD5 P21918 1/20 0.39

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
SCHEMBL29895300 1.00 SLC22A12 (0.78) SLC22A12CYP2D6CYP3A4CA2NR3C1
SCHEMBL29895233 1.00 SLC22A12 (0.78) SLC22A12CYP2D6CYP3A4CA2NR3C1
SCHEMBL23710758 1.00 SLC22A12 (0.78) SLC22A12CYP2D6CYP3A4CA2NR3C1
Isoguaiacin SCHEMBL30046020 0.94 SLC22A12 (0.67) SLC22A12CYP2D6CYP3A4CA2NR3C1
Isoguaiacin SCHEMBL29484561 0.94 SLC22A12 (0.67) SLC22A12CYP2D6CYP3A4CA2NR3C1
Isoguaiacin SCHEMBL25046257 0.94 SLC22A12 (0.67) SLC22A12CYP2D6CYP3A4CA2NR3C1
Isoguaiacin SCHEMBL29484562 0.94 SLC22A12 (0.67) SLC22A12CYP2D6CYP3A4CA2NR3C1
SCHEMBL23710749 0.88 SLC22A12 (1.00) SLC22A12CYP2D6CYP3A4MAOAQDPR
SCHEMBL23710750 0.88 SLC22A12 (1.00) SLC22A12CYP2D6CYP3A4MAOAQDPR
SCHEMBL29895281 0.88 SLC22A12 (1.00) SLC22A12CYP2D6CYP3A4MAOAQDPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230098202-A1 PESTICIDE COMPOSITIONS OF 1-PHENYL-TETRALIN DERIVATIVES METABOLIC INSIGHTS LTD. (IL) 2023-03-30 US claimed
WO-2021152598-A1 PESTICIDE COMPOSITIONS OF 1-PHENYL-TETRALIN DERIVATIVES METABOLIC INSIGHTS LTD. (IL) 2021-08-05 WO 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 (1 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-20230098202-A1 PESTICIDE COMPOSITIONS OF 1-PHENYL-TETRALIN DERIVATIVES DDT, TPP1, PAOX SLC22A12 3830/4885CYP2D6 2195/4885CYP3A4 623/4885

“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.