SCHEMBL19357064

SCHEMBL19357064

OC1(c2ccccc2-c2ccc(Cl)cc2)c2ccccc2-c2ccc(-c3ccccc3)cc21

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 19/20 0.61
▸ CYP1A2 P05177 1/20 0.46

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
SCHEMBL22797342 0.97 PDK2 (0.58) PDK2CYP1A2
SCHEMBL19152841 0.89 PDK2 (0.55) PDK2
SCHEMBL22797340 0.89 PDK2 (0.50) PDK2
SCHEMBL21732768 0.88 PDK2 (0.61) PDK2CYP1A2
SCHEMBL22797613 0.87 PDK2 (0.50) PDK2CYP1A2
SCHEMBL19167894 0.85 PDK2 (0.51) PDK2CYP1A2
SCHEMBL22797542 0.85 PDK2 (0.48) PDK2CYP1A2
SCHEMBL19863928 0.85 PDK2 (0.48) PDK2CYP1A2
SCHEMBL22799489 0.84 PDK2 (0.47) PDK2CYP1A2
SCHEMBL22797538 0.84 PDK2 (0.47) PDK2CYP1A2

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
CN-108779103-B Compound with spirobifluorene structure 默克专利有限公司 2021-12-28 — — CN disclosed
US-20190106391-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2019-04-11 — — US disclosed
EP-3430006-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES Merck Patent GmbH (DE) 2019-01-23 — — EP disclosed
WO-2017157983-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2017-09-21 — — 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-20190106391-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES TEC, NUDT1, DPYD PDK2 157/4885CYP1A2 711/4885

“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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