SCHEMBL4104338

SCHEMBL4104338

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[C@]4(C)[C@H]3CC[C@@]12C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 2/20 0.44
▸ PTPN1 P18031 3/20 0.41
▸ TOP2A P11388 2/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ ACLY P53396 1/20 0.41
▸ ACACA Q13085 1/20 0.41
▸ HIF1A Q16665 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NT5E P21589 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ USP7 Q93009 1/20 0.40
▸ CRYAA P02489 1/20 0.40
▸ CRYAB P02511 1/20 0.40
▸ EBP Q15125 2/20 0.40
▸ SLC10A1 Q14973 1/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.39
▸ NR1H3 Q13133 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
SCHEMBL28831684 0.87 HMGCR (0.54) HMGCRACLYACACAUSP2LMNA
SCHEMBL16488039 0.85 SLC10A1 (0.42) HMGCRPTPN1TOP2ACES2CES1
SCHEMBL15233192 0.85 SLC10A1 (0.42) HMGCRPTPN1TOP2ACES2CES1
SCHEMBL24285051 0.83 ACLY (0.54) HMGCRPTPN1TOP2ACES2CES1
SCHEMBL17431782 0.82 HSD11B1 (0.55) HMGCRPTPN1TOP2AACLYACACA
SCHEMBL3479594 0.79 ACLY (0.65) HMGCRACLYACACAHIF1AUSP2
SCHEMBL3479596 0.79 ACLY (0.65) HMGCRACLYACACAHIF1AUSP2
SCHEMBL4105049 0.74 PTGS2 (0.47) HMGCRPTPN1ACLYACACALMNA
SCHEMBL9766747 0.73 HMGCR (0.49) HMGCRPTPN1ACLYACACAHIF1A
SCHEMBL9766753 0.73 HMGCR (0.49) HMGCRPTPN1ACLYACACAHIF1A

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 6 patents. 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
EP-1993579-A2 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION/TREATMENT OF BONE DISORDERS AND A PROCESS FOR THE PREPARATION THEREOF Council of Scientific and Industrial Research (IN) 2008-11-26 — — EP disclosed
EP-1883453-A1 A PHARMACEUTICAL COMPOSITION USEFUL FOR THE TREATMENT OF HEPATOCELLULAR CARCINOMA COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-02-06 — — EP disclosed
WO-2007099432-A2 PHARMACEUTICAL COMPOSITION CONTAINING BUTEA ISOFLAVONES FOR THE PREVENTION /TREATMENT OF BONE DISORDERS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-09-07 — — WO disclosed
US-20060280817-A1 Pharmaceutical composition useful for the treatment of hepatocellular carcinoma COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-12-14 — — US disclosed
WO-2006126067-A1 A PHARMACEUTICAL COMPOSITION USEFUL FOR THE TREATMENT OF HEPATOCELLULAR CARCINOMA COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-11-30 — — 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-20090221690-A1 Pharmaceutical Composition for the Prevention/Treatment of Bone Disorders and a Process for the Preparation Thereof SOST, BPGM, PTMS HMGCR 48/4885PTPN1 2716/4885TOP2A 3703/4885

“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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