SCHEMBL14134458

SCHEMBL14134458

CC(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(CO)C5CCC43C)C12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC10A1 Q14973 1/20 0.52
▸ PTPN1 P18031 1/20 0.50
▸ GPBAR1 Q8TDU6 13/20 0.46
▸ PRKCD Q05655 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NT5E P21589 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL13301977 0.87 GPBAR1 (0.65) GPBAR1PRKCDNR1H4LMNANT5E
SCHEMBL14134447 0.87 GPBAR1 (0.65) GPBAR1PRKCDNR1H4LMNANT5E
SCHEMBL17794078 0.86 GPBAR1 (0.52) SLC10A1PTPN1GPBAR1PRKCDNR1H4
SCHEMBL13908800 0.86 GPBAR1 (0.52) SLC10A1PTPN1GPBAR1PRKCDNR1H4
SCHEMBL10061314 0.86 GPBAR1 (0.52) SLC10A1PTPN1GPBAR1PRKCDNR1H4
SCHEMBL13908732 0.86 GPBAR1 (0.52) SLC10A1PTPN1GPBAR1PRKCDNR1H4
SCHEMBL27953975 0.85 PTPN1 (0.66) SLC10A1PTPN1GPBAR1LMNANT5E
SCHEMBL14134450 0.83 PTPN1 (0.61) PTPN1GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL13164839 0.83 PTPN1 (0.61) PTPN1GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL13301934 0.81 SLC10A1 (0.55) SLC10A1PTPN1GPBAR1PRKCDNR1H4

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-20120302530-A1 23-HYDROXY-BETULINIC ACID DERIVATIVES, PREPARATION METHODS AND USES THEREOF SUZHOU MAIDIXIAN PHARMACEUTICAL INC. (CN) 2012-11-29 — — 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-20120302530-A1 23-HYDROXY-BETULINIC ACID DERIVATIVES, PREPARATION METHODS AND USES THEREOF IL23R, BET1, IL17A SLC10A1 1744/4885PTPN1 4057/4885GPBAR1 385/4885

“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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