SCHEMBL3507541

SCHEMBL3507541

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=NO)C(C)(CO)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 10/20 0.69
▸ LMNA P02545 2/20 0.68
▸ NT5E P21589 2/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ EGLN2 Q96KS0 1/20 0.68
▸ EGLN1 Q9GZT9 1/20 0.68
▸ EGLN3 Q9H6Z9 1/20 0.68
▸ P4HTM Q9NXG6 1/20 0.68
▸ CES2 O00748 2/20 0.67
▸ CES1 P23141 2/20 0.67
▸ F3 P13726 1/20 0.67
▸ PTPN1 P18031 2/20 0.62
▸ GLI1 P08151 2/20 0.62
▸ USP2 O75604 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ AKR1B10 O60218 1/20 0.62
▸ ALB P02768 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ AKR1B1 P15121 1/20 0.62
▸ DPP4 P27487 1/20 0.62

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
SCHEMBL13293178 1.00 GPBAR1 (0.69) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL16704981 1.00 GPBAR1 (0.69) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL16704671 0.93 EGLN2 (0.65) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL13304146 0.92 GPBAR1 (0.59) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL13293261 0.92 GPBAR1 (0.59) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL16704971 0.91 EGLN2 (0.67) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL15450694 0.91 EGLN2 (0.67) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL13293163 0.89 EGLN2 (0.83) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL14086933 0.89 EGLN2 (0.83) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL14554423 0.89 GPBAR1 (0.72) GPBAR1LMNANT5ESMN1; SMN2CES2

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 5 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-8637474-B2 Receptor modulators exhibiting neuroprotective and memory enhancing activities THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (HK) 2014-01-28 — — US disclosed
US-20130012462-A1 RECEPTOR MODULATORS EXHIBITING NEUROPROTECTIVE AND MEMORY ENHANCING ACTIVITIES BIOTECHNOLOGY RESEARCH CORPORATION LIMITED (CN) 2013-01-10 — — 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
WO-2008138200-A1 NMDA AND MC RECEPTOR ANTAGONISTS EXHIBITING NEUROPROTECTIVE AND MEMORY ENHANCING ACTIVITIES HONG KONG UNIVERSITY OF SCIENCE & TECHNOLOGY (CN) 2008-11-20 — — WO 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-20130012462-A1 RECEPTOR MODULATORS EXHIBITING NEUROPROTECTIVE AND MEMORY ENHANCING ACTIVITIES GRIN1, GRIN2A, GRM1 GPBAR1 209/4885LMNA 3258/4885NT5E 1537/4885
US-20100222286-A1 RECEPTOR MODULATORS EXHIBITING NEUROPROTECTIVE AND MEMORY ENHANCING ACTIVITIES GRIN1, GRIN2A, GRM1 GPBAR1 209/4885LMNA 3258/4885NT5E 1537/4885

“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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