SCHEMBL1106112

SCHEMBL1106112

CC(C)[C@H]1[C@@H](C(C)C)OC(=O)[C@@H]1CO

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.34
▸ MANBA O00462 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ PRKCA P17252 3/20 0.31
▸ PRKD3 O94806 1/20 0.31
▸ PRKCG P05129 1/20 0.31
▸ PRKCB P05771 1/20 0.31
▸ PRKCH P24723 1/20 0.31
▸ PRKCE Q02156 1/20 0.31
▸ PRKCQ Q04759 1/20 0.31
▸ PRKCD Q05655 1/20 0.31
▸ PRKD1 Q15139 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NAAA Q02083 2/20 0.31

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
SCHEMBL10111215 0.82 HIF1A (0.35) HIF1AMANBALMNATHRBPRKCA
SCHEMBL1106083 0.71 — —
SCHEMBL13589504 0.71 — —
SCHEMBL13885986 0.67 NAAA (0.31) NAAA
SCHEMBL10110527 0.64 LMNA (0.34) LMNAPRKCAPRKD3PRKCGPRKCB
SCHEMBL17973345 0.64 DAGLA (0.49) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL10035728 0.63 — —
SCHEMBL17973347 0.63 — —
SCHEMBL7869492 0.61 MGAM (0.34) —
SCHEMBL1106116 0.61 PRKCD (0.32) PRKCAPRKCGPRKCD

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-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS CHACKALAMANNIL SAMUEL (US) 2012-06-21 — — US disclosed
US-8153664-B2 thrombosis, atherosclerosis, restenosis, hypertension, angina pectoris, arrhythmia, heart failures and cancer SCHERING CORPORATION (US) 2012-04-10 — — US disclosed
US-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists SCHERING CORPORATION 2008-04-17 — — 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 (2 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-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists EDNRB, TBXA2R, BDKRB1 HIF1A 3000/4885MANBA 3664/4885LMNA 874/4885
US-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS EDNRB, TBXA2R, BDKRB1 HIF1A 2727/4885MANBA 3637/4885LMNA 1126/4885

“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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