SCHEMBL12640552

SCHEMBL12640552

CC1(C)C2CC[C@]3(C)C(CCC4C5CCC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.61
TOP2A P11388 2/20 0.61
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
GPBAR1 Q8TDU6 4/20 0.52
SLC10A1 Q14973 1/20 0.52
USP7 Q93009 1/20 0.52
USP2 O75604 2/20 0.51
LMNA P02545 2/20 0.51
HIF1A Q16665 2/20 0.51
NT5E P21589 2/20 0.51
RELA Q04206 1/20 0.51
PRKCD Q05655 1/20 0.51
RORC P51449 2/20 0.51
ALB P02768 2/20 0.50
AKR1B10 O60218 1/20 0.50
POLB P06746 1/20 0.50
GLI1 P08151 1/20 0.50
AKR1B1 P15121 1/20 0.50
DPP4 P27487 1/20 0.50

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
SCHEMBL14350531 0.86 PTPN1 (0.65) PTPN1TOP2ACES2CES1GPBAR1
SCHEMBL851609 0.86 PTPN1 (0.65) PTPN1TOP2ACES2CES1GPBAR1
SCHEMBL18100185 0.86 PTPN1 (0.65) PTPN1TOP2ACES2CES1GPBAR1
SCHEMBL19338218 0.85 PTPN1 (0.57) PTPN1TOP2ACES2CES1GPBAR1
SCHEMBL23766687 0.85 PTPN1 (0.57) PTPN1TOP2ACES2CES1GPBAR1
SCHEMBL18690037 0.84 PTPN1 (0.60) PTPN1TOP2ACES2CES1GPBAR1
SCHEMBL18688190 0.84 PTPN1 (0.60) PTPN1TOP2ACES2CES1GPBAR1
SCHEMBL13359971 0.84 PTPN1 (0.60) PTPN1TOP2ACES2CES1GPBAR1
SCHEMBL13165682 0.83 SLC10A1 (0.65) PTPN1TOP2ACES2CES1GPBAR1
SCHEMBL19452474 0.83 SLC10A1 (0.65) PTPN1TOP2ACES2CES1GPBAR1

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-20110159120-A1 SYNERGISTIC ANTI-INFLAMMATORY COMPOSITIONS COMPRISING BOSWELLIA SERRATA EXTRACTS LAILA NUTRACEUTICALS (IN) 2011-06-30 US disclosed
US-20080167254-A1 TRITERPENES DERIVATIVES AND USES THEREOF AS ANTITUMOR AGENTS OR ANTI-INFLAMMATORY AGENTS UNIVERSITE DU QUEBEC A CHICOUTIMI (CA) 2008-07-10 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-20080167254-A1 TRITERPENES DERIVATIVES AND USES THEREOF AS ANTITUMOR AGENTS OR ANTI-INFLAMMATORY AGENTS TNF, B3GAT3, ST3GAL3 PTPN1 2782/4885TOP2A 1859/4885CES2 1567/4885

“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.