SCHEMBL13164848

SCHEMBL13164848

C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(CCC4[C@@]5(C)CC/C(=N\O)[C@@](C)(CO)C5CC[C@]43C)C12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 2/20 0.59
▸ PTPN1 P18031 2/20 0.59
▸ CES2 O00748 2/20 0.59
▸ CES1 P23141 2/20 0.59
▸ EGLN2 Q96KS0 1/20 0.58
▸ EGLN1 Q9GZT9 1/20 0.58
▸ EGLN3 Q9H6Z9 1/20 0.58
▸ P4HTM Q9NXG6 1/20 0.58
▸ PTGES O14684 3/20 0.55
▸ GPBAR1 Q8TDU6 5/20 0.51
▸ LMNA P02545 3/20 0.51
▸ NT5E P21589 2/20 0.51
▸ USP2 O75604 2/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ RELA Q04206 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ F3 P13726 1/20 0.48
▸ SLC10A1 Q14973 1/20 0.47
▸ PREP P48147 2/20 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
SCHEMBL13293154 0.90 LMNA (0.65) TOP2APTPN1CES2CES1EGLN2
SCHEMBL13293126 0.89 LMNA (0.58) TOP2APTPN1CES2CES1EGLN2
SCHEMBL16704671 0.88 EGLN2 (0.65) PTPN1CES2CES1EGLN2EGLN1
SCHEMBL13293159 0.87 EGLN2 (0.57) TOP2APTPN1CES2CES1EGLN2
SCHEMBL13293155 0.87 SLC10A1 (0.65) TOP2APTPN1CES2CES1EGLN2
SCHEMBL13293178 0.87 GPBAR1 (0.69) PTPN1CES2CES1EGLN2EGLN1
SCHEMBL13293160 0.87 EGLN2 (0.54) TOP2APTPN1CES2CES1EGLN2
SCHEMBL3507541 0.87 GPBAR1 (0.69) PTPN1CES2CES1EGLN2EGLN1
SCHEMBL16704981 0.87 GPBAR1 (0.69) PTPN1CES2CES1EGLN2EGLN1
SCHEMBL14134450 0.87 PTPN1 (0.61) TOP2APTPN1CES2CES1EGLN2

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-8642567-B2 Receptor modulators exhibiting neuroprotective and memory enhancing activities THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2014-02-04 — — US disclosed
US-20100222286-A1 RECEPTOR MODULATORS EXHIBITING NEUROPROTECTIVE AND MEMORY ENHANCING ACTIVITIES THE HONG KONG UNIVERSITY OF SCIENCE & TECHNOLOGY (CN) 2010-09-02 — — 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-20100222286-A1 RECEPTOR MODULATORS EXHIBITING NEUROPROTECTIVE AND MEMORY ENHANCING ACTIVITIES GRIN1, GRIN2A, GRM1 TOP2A 4247/4885PTPN1 3740/4885CES2 4466/4885

“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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