SCHEMBL20987666

SCHEMBL20987666

CNc1cc(C(C)C)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ APP P05067 3/20 0.49
▸ HDAC4 P56524 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ ALDH1A1 P00352 7/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ HPGD P15428 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SLC22A3 O75751 1/20 0.37

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
SCHEMBL24557359 0.85 APP (0.49) MEN1KMT2AAPPHDAC4HDAC8
SCHEMBL18469822 0.79 ACHE (0.39) MEN1KMT2AAPPALDH1A1SMN1; SMN2
SCHEMBL18857351 0.79 MEN1 (0.45) MEN1KMT2AHDAC4HDAC8ALDH1A1
SCHEMBL21726732 0.78 ALDH1A1 (0.50) MEN1KMT2AHDAC4HDAC8ALDH1A1
SCHEMBL13947630 0.78 KMT2A (0.57) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL84033 0.77 PPARG (0.53) KMT2AHDAC4HDAC8ALDH1A1HPGD
SCHEMBL15800483 0.76 HDAC4 (0.47) MEN1KMT2AHDAC4HDAC8ALDH1A1
SCHEMBL26386538 0.76 APP (0.51) MEN1KMT2AAPPCA1CA2
SCHEMBL8940819 0.75 HDAC4 (0.50) MEN1KMT2AHDAC4HDAC8ALDH1A1
SCHEMBL20987638 0.74 LMNA (0.54) MEN1KMT2AALDH1A1SMN1; SMN2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023072301-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2023-05-04 — — WO disclosed
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 — — US disclosed
CN-108341812-A A kind of preparation method containing quinuclidine compounds 科贝源(北京)生物医药科技有限公司 2018-07-31 — — 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-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 MEN1 2025/4885KMT2A 377/4885APP 4646/4885

“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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