SCHEMBL13164844

SCHEMBL13164844

C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(=O)[C@@](C)(COC(C)=O)C5CC[C@]43C)C12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 3/20 0.58
▸ GPBAR1 Q8TDU6 3/20 0.57
▸ LMNA P02545 1/20 0.57
▸ NT5E P21589 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ PTPN1 P18031 2/20 0.56
▸ CES2 O00748 1/20 0.56
▸ TOP2A P11388 1/20 0.56
▸ CES1 P23141 1/20 0.56
▸ PREP P48147 2/20 0.48
▸ SLC10A1 Q14973 1/20 0.48
▸ EGLN2 Q96KS0 1/20 0.47
▸ EGLN1 Q9GZT9 1/20 0.47
▸ EGLN3 Q9H6Z9 1/20 0.47
▸ P4HTM Q9NXG6 1/20 0.47
▸ CA9 Q16790 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
SCHEMBL13293224 0.90 SLC10A1 (0.60) PTGESGPBAR1LMNANT5ESMN1; SMN2
SCHEMBL13293259 0.89 PTGES (0.62) PTGESGPBAR1LMNANT5ESMN1; SMN2
SCHEMBL3506340 0.89 GPBAR1 (0.75) GPBAR1LMNANT5ESMN1; SMN2PTPN1
SCHEMBL14134450 0.88 PTPN1 (0.61) PTGESGPBAR1LMNANT5ESMN1; SMN2
SCHEMBL13164839 0.88 PTPN1 (0.61) PTGESGPBAR1LMNANT5ESMN1; SMN2
SCHEMBL16704962 0.87 GPBAR1 (0.62) GPBAR1LMNANT5ESMN1; SMN2TOP2A
SCHEMBL13293196 0.85 SLC10A1 (0.60) PTGESGPBAR1LMNANT5ESMN1; SMN2
SCHEMBL13293245 0.84 SLC10A1 (0.57) PTGESGPBAR1LMNANT5ESMN1; SMN2
Lupenone SCHEMBL13851777 0.84 GPBAR1 (0.75) PTGESGPBAR1LMNANT5ESMN1; SMN2
Lupenone SCHEMBL1224027 0.84 GPBAR1 (0.75) PTGESGPBAR1LMNANT5ESMN1; SMN2

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 PTGES 1399/4885GPBAR1 209/4885LMNA 3258/4885

“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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