SCHEMBL10081999

SCHEMBL10081999

C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.52
▸ CES2 O00748 1/20 0.52
▸ TOP2A P11388 1/20 0.52
▸ CES1 P23141 1/20 0.52
▸ PTGES O14684 2/20 0.50
▸ MBOAT4 Q96T53 1/20 0.48
▸ GPBAR1 Q8TDU6 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NT5E P21589 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GLI1 P08151 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ EGLN2 Q96KS0 4/20 0.42
▸ EGLN1 Q9GZT9 4/20 0.42
▸ EGLN3 Q9H6Z9 4/20 0.42
▸ P4HTM Q9NXG6 4/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ RORC P51449 2/20 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
SCHEMBL2131295 0.89 GPBAR1 (0.45) PTPN1CES2TOP2ACES1PTGES
SCHEMBL10082000 0.89 GPBAR1 (0.45) PTPN1CES2TOP2ACES1PTGES
SCHEMBL2132688 0.89 GPBAR1 (0.45) PTPN1CES2TOP2ACES1PTGES
SCHEMBL13351982 0.88 GPBAR1 (0.54) PTPN1CES2CES1GPBAR1LMNA
SCHEMBL3526193 0.88 GPBAR1 (0.54) PTPN1CES2CES1GPBAR1LMNA
SCHEMBL10081998 0.88 GPBAR1 (0.45) PTPN1CES2TOP2ACES1MBOAT4
SCHEMBL5448717 0.88 GPBAR1 (0.45) PTPN1CES2TOP2ACES1MBOAT4
SCHEMBL14398789 0.88 GPBAR1 (0.45) PTPN1CES2TOP2ACES1MBOAT4
SCHEMBL14399285 0.87 LMNA (0.54) PTPN1CES2TOP2ACES1PTGES
SCHEMBL14400884 0.87 LMNA (0.54) PTPN1CES2TOP2ACES1PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101149-A1 Betulinic Acid Derivatives and Methods of Use Thereof REATA PHARMACEUTICALS, INC. 2012-04-26 — — 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-20120101149-A1 Betulinic Acid Derivatives and Methods of Use Thereof BET1, PGGT1B, CYP3A5 PTPN1 4284/4885CES2 1352/4885TOP2A 1998/4885

“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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