SCHEMBL21662997

SCHEMBL21662997

CC(C)C(=O)C1CCCC(C)(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.30
▸ TSHR P16473 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
SCHEMBL21663136 0.91 POLB (0.31) POLBTSHR
SCHEMBL22175290 0.81 ALDH1A1 (0.33) POLB
SCHEMBL3236730 0.76 CYP1A2 (0.37) TSHR
SCHEMBL21663178 0.76 PTPN2 (0.35) POLB
SCHEMBL1182269 0.72 CYP19A1 (0.31) —
SCHEMBL4128790 0.71 CYP1A2 (0.36) TSHR
SCHEMBL11517543 0.71 MCL1 (0.42) —
SCHEMBL1381231 0.70 CYP19A1 (0.36) POLB
SCHEMBL21751527 0.69 MCL1 (0.49) —
SCHEMBL900888 0.69 MCL1 (0.49) —

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-11168088-B2 Pyridylamino substituted heterotricyclic compounds, and preparation method and pharmaceutical use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. 2021-11-09 — — US disclosed
US-20200039983-A1 PYRIDYLAMINO SUBSTITUTED HETEROTRICYCLIC COMPOUNDS, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-02-06 — — 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-11168088-B2 Pyridylamino substituted heterotricyclic compounds, and preparation method and pharmaceutical use thereof CYP2D6, PNPO, CYP2B6 POLB 2281/4885TSHR 2324/4885
US-20200039983-A1 PYRIDYLAMINO SUBSTITUTED HETEROTRICYCLIC COMPOUNDS, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF CYP2D6, PNPO, CYP2B6 POLB 2281/4885TSHR 2324/4885

“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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