SCHEMBL4105049

SCHEMBL4105049

C=C(C)CCC[C@@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]4(C)[C@H]3CC[C@@]12C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.47
▸ PTPN1 P18031 1/20 0.41
▸ ACHE P22303 1/20 0.35
▸ CETP P11597 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ ACLY P53396 2/20 0.34
▸ ACACA Q13085 2/20 0.34
▸ HMGCR P04035 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PRKCD Q05655 1/20 0.32
▸ EBP Q15125 2/20 0.32
▸ NPC1L1 Q9UHC9 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32

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
SCHEMBL4985464 0.77 CYP3A4 (0.33) PTGS2PTPN1ACLYACACAPPARG
SCHEMBL4104338 0.74 HMGCR (0.44) PTPN1ACLYACACAHMGCRGPBAR1
SCHEMBL29934469 0.69 ACLY (0.47) PTGS2PTPN1CETPNR1H4ACLY
SCHEMBL29934458 0.67 HSD11B1 (0.49) PTGS2PTPN1CETPNR1H4ACLY
SCHEMBL27494595 0.65 GPBAR1 (0.53) PTPN1NR1H4GPBAR1LMNA
SCHEMBL3479596 0.65 ACLY (0.65) PTGS2ACLYACACAHMGCRLMNA
SCHEMBL3479594 0.65 ACLY (0.65) PTGS2ACLYACACAHMGCRLMNA
SCHEMBL28831684 0.64 HMGCR (0.54) ACLYACACAHMGCRLMNAEBP
SCHEMBL12036681 0.64 POLA1 (0.49) —
SCHEMBL4735768 0.61 CDC25A (0.51) GPBAR1LMNA

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-20090221690-A1 Pharmaceutical Composition for the Prevention/Treatment of Bone Disorders and a Process for the Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (US) 2009-09-03 — — 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-20090221690-A1 Pharmaceutical Composition for the Prevention/Treatment of Bone Disorders and a Process for the Preparation Thereof SOST, BPGM, PTMS PTGS2 3109/4885PTPN1 2716/4885ACHE 20/4885

“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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