SCHEMBL1106116

SCHEMBL1106116

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

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PRKCD Q05655 6/20 0.32
▸ PRKCG P05129 1/20 0.32
▸ PRKCA P17252 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
SCHEMBL10110524 0.81 PRKCD (0.32) PRKCDPRKCGPRKCA
SCHEMBL1106077 0.71 TSHR (0.30) —
SCHEMBL29336523 0.71 MEN1 (0.37) —
SCHEMBL6325354 0.66 — —
SCHEMBL6783661 0.66 — —
SCHEMBL19521213 0.66 — —
SCHEMBL17966438 0.64 HRH3 (0.40) PRKCDPRKCGPRKCA
SCHEMBL13784332 0.64 HRH3 (0.40) PRKCDPRKCGPRKCA
SCHEMBL13290576 0.64 ABCB1 (0.36) PRKCDPRKCGPRKCA
SCHEMBL13399581 0.64 ABCB1 (0.36) PRKCDPRKCGPRKCA

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-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 (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-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists EDNRB, TBXA2R, BDKRB1 PRKCD 2866/4885PRKCG 3094/4885PRKCA 3181/4885

“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.

Send feedback