SCHEMBL15979578

SCHEMBL15979578

C=C(C)[C@@H]1CC[C@]2(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@]43C)[C@@H]12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 6/20 0.65
▸ NT5E P21589 5/20 0.65
▸ LMNA P02545 2/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ EGLN2 Q96KS0 4/20 0.51
▸ EGLN1 Q9GZT9 4/20 0.51
▸ EGLN3 Q9H6Z9 4/20 0.51
▸ P4HTM Q9NXG6 4/20 0.51
▸ ALB P02768 2/20 0.46
▸ PTPN1 P18031 2/20 0.46
▸ GLI1 P08151 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ AKR1B10 O60218 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ AKR1B1 P15121 1/20 0.46
▸ DPP4 P27487 1/20 0.46
▸ RORC P51449 1/20 0.46
▸ SAE1 Q9UBE0 1/20 0.46
▸ UBA2 Q9UBT2 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
SCHEMBL15979583 0.92 GPBAR1 (0.63) GPBAR1NT5ELMNASMN1; SMN2EGLN2
SCHEMBL15979580 0.91 GPBAR1 (0.64) GPBAR1NT5ELMNASMN1; SMN2EGLN2
SCHEMBL15979579 0.89 GPBAR1 (0.63) GPBAR1NT5ELMNASMN1; SMN2EGLN2
SCHEMBL15979582 0.86 GPBAR1 (0.66) GPBAR1NT5ELMNASMN1; SMN2EGLN2
SCHEMBL15979581 0.85 GPBAR1 (0.64) GPBAR1NT5ELMNASMN1; SMN2EGLN2
SCHEMBL3782509 0.81 GPBAR1 (0.84) GPBAR1NT5ELMNASMN1; SMN2EGLN2
SCHEMBL14259781 0.81 GPBAR1 (0.87) GPBAR1NT5ELMNASMN1; SMN2EGLN2
SCHEMBL13814591 0.81 GPBAR1 (0.87) GPBAR1NT5ELMNASMN1; SMN2EGLN2
SCHEMBL14682802 0.81 GPBAR1 (0.87) GPBAR1NT5ELMNASMN1; SMN2EGLN2
SCHEMBL13908801 0.81 GPBAR1 (0.87) GPBAR1NT5ELMNASMN1; SMN2EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865935-B2 Purification methods for betulonic acid and Boc-lysinated betulonic acid, and organic synthesis of betulonic acid amides with piperazine derivatives KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2014-10-21 — — US disclosed
US-8865935-B2 Purification methods for betulonic acid and Boc-lysinated betulonic acid, and organic synthesis of betulonic acid amides with piperazine derivatives KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2014-10-21 — — US disclosed
US-20140243527-A1 PURIFICATION METHODS FOR BETULONIC ACID AND BOC-LYSINATED BETULONIC ACID, AND ORGANIC SYNTHESIS OF BETULONIC ACID AMIDES WITH PIPERAZINE DERIVATIVES KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2014-08-28 — — US disclosed
US-20140243527-A1 PURIFICATION METHODS FOR BETULONIC ACID AND BOC-LYSINATED BETULONIC ACID, AND ORGANIC SYNTHESIS OF BETULONIC ACID AMIDES WITH PIPERAZINE DERIVATIVES KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2014-08-28 — — 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-20140243527-A1 PURIFICATION METHODS FOR BETULONIC ACID AND BOC-LYSINATED BETULONIC ACID, AND ORGANIC SYNTHESIS OF BETULONIC ACID AMIDES WITH PIPERAZINE DERIVATIVES BET1, LOX, BECN1 GPBAR1 1789/4885NT5E 2697/4885LMNA 1146/4885

“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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