SCHEMBL10081998

SCHEMBL10081998

C=C(C)[C@@H]1CC[C@]2(C=O)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 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ NT5E P21589 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ GLI1 P08151 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SLC10A1 Q14973 1/20 0.43
▸ MBOAT4 Q96T53 1/20 0.41
▸ EGLN2 Q96KS0 2/20 0.40
▸ EGLN1 Q9GZT9 2/20 0.40
▸ EGLN3 Q9H6Z9 2/20 0.40
▸ P4HTM Q9NXG6 2/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ RORC P51449 2/20 0.39
▸ RELA Q04206 1/20 0.39
▸ PTPN1 P18031 3/20 0.39
▸ CES2 O00748 1/20 0.39
▸ TOP2A P11388 1/20 0.39

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
SCHEMBL5448717 1.00 GPBAR1 (0.45) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL14398789 1.00 GPBAR1 (0.45) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL10081999 0.88 PTPN1 (0.52) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL2132688 0.86 GPBAR1 (0.45) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL2131295 0.86 GPBAR1 (0.45) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL10082000 0.86 GPBAR1 (0.45) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL14398790 0.85 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL14399285 0.85 LMNA (0.54) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL14400884 0.85 LMNA (0.54) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL5442215 0.85 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2GLI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778990-B2 Betulinic acid derivatives and methods of use thereof TRUSTEES OF DARTMOUTH COLLEGE (US) 2014-07-15 — — US disclosed
US-20120101149-A1 Betulinic Acid Derivatives and Methods of Use Thereof REATA PHARMACEUTICALS, INC. 2012-04-26 — — US disclosed
WO-2010053817-A1 BETULINIC ACID DERIVATIVES AND METHODS OF USE THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2010-05-14 — — 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 (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 GPBAR1 75/4885LMNA 1890/4885NT5E 591/4885

“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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