SCHEMBL29628994

SCHEMBL29628994

COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc2c1C(=O)OC2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.48
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SUV39H2 Q9H5I1 3/20 0.44
▸ NAMPT P43490 1/20 0.43
▸ GPR119 Q8TDV5 2/20 0.42
▸ ALK Q9UM73 3/20 0.42
▸ PDK2 Q15119 1/20 0.41
▸ F13A1 P00488 1/20 0.41
▸ TGM2 P21980 1/20 0.41
▸ TGM1 P22735 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL20231723 1.00 ABCB1 (0.48) ABCB1LMNAMAPTALDH1A1SUV39H2
SCHEMBL21982731 0.87 NAMPT (0.46) ABCB1LMNAMAPTALDH1A1SUV39H2
SCHEMBL22498015 0.85 KDM4E (0.43) LMNAMAPTSMN1; SMN2
SCHEMBL30431090 0.82 LMNA (0.44) ABCB1LMNAMAPTALDH1A1SUV39H2
SCHEMBL28534844 0.82 LMNA (0.44) ABCB1LMNAMAPTALDH1A1SUV39H2
SCHEMBL20046699 0.80 PDK2 (0.55) ABCB1LMNAMAPTALDH1A1NAMPT
SCHEMBL29547575 0.80 PDK2 (0.55) ABCB1LMNAMAPTALDH1A1NAMPT
SCHEMBL31216276 0.77 ABCB1 (0.50) ABCB1LMNAMAPTALDH1A1SUV39H2
SCHEMBL20231647 0.77 PDK2 (0.53) LMNAMAPTALDH1A1SUV39H2NAMPT
SCHEMBL31216180 0.76 ABCB1 (0.50) ABCB1LMNAMAPTALDH1A1SUV39H2

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
CN-118480030-A Cerebulin ligands and bifunctional compounds comprising same 阿尔维纳斯运营股份有限公司 2024-08-13 — — CN disclosed
CN-112262134-B Cerebulin ligands and bifunctional compounds comprising same 阿尔维纳斯运营股份有限公司 2024-05-24 — — CN disclosed
US-20220169643-A1 ESTROGEN RECEPTOR DEGRADING PROTACS ASTRAZENECA UK LIMITED (GB) 2022-06-02 — — 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 (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-20220169643-A1 ESTROGEN RECEPTOR DEGRADING PROTACS ESR1, GPER1, ESRRG ABCB1 776/4885LMNA 1724/4885MAPT 4823/4885

“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.

Send feedback