SCHEMBL25641436

SCHEMBL25641436

OCCC1CCC2CCCCC12

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL13658057 1.00 CYP1A2 (0.42) CYP1A2CYP2D6ALDH1A1
SCHEMBL8814526 0.91 CYP1A2 (0.50) CYP1A2CYP2D6ALDH1A1
SCHEMBL10163498 0.91 CYP1A2 (0.46) CYP1A2CYP2D6ALDH1A1
SCHEMBL899391 0.85 CYP1A2 (0.36) CYP1A2CYP2D6
SCHEMBL13479762 0.85 CYP1A2 (0.39) CYP1A2CYP2D6
SCHEMBL28252848 0.79 CYP1A2 (0.35) CYP1A2CYP2D6
SCHEMBL9910700 0.77 CYP1A2 (0.35) CYP1A2CYP2D6ALDH1A1
SCHEMBL15490090 0.77 CYP1A2 (0.35) CYP1A2CYP2D6ALDH1A1
SCHEMBL22766036 0.77 CYP1A2 (0.32) CYP1A2CYP2D6ALDH1A1
SCHEMBL9637783 0.77 CA1 (0.45) CYP1A2CYP2D6ALDH1A1

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-20230192575-A1 TRICYCLODECANE DIMETHANOL COMPOSITION AND PREPARATION METHOD OF THE SAME SK CHEMICALS CO., LTD. (KR) 2023-06-22 — — US disclosed
CN-1094034-A 25 carboxylic acid derivative of vitamin D series, its method for making and intermediate product, contain the medicine of this derivative and medicinal SCHERING AG (DE) 1994-10-26 — — 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 (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-20230192575-A1 TRICYCLODECANE DIMETHANOL COMPOSITION AND PREPARATION METHOD OF THE SAME DHCR7, DHCR24, CYP19A1 CYP1A2 41/4885CYP2D6 326/4885ALDH1A1 3080/4885

“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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