SCHEMBL10111215

SCHEMBL10111215

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MANBA O00462 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ PRKCA P17252 3/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ PRKCG P05129 1/20 0.32
▸ PRKCB P05771 1/20 0.32
▸ PRKCH P24723 1/20 0.32
▸ PRKCE Q02156 1/20 0.32
▸ PRKCQ Q04759 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ PRKD1 Q15139 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NAAA Q02083 4/20 0.31
▸ GBA1 P04062 1/20 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
SCHEMBL1106112 0.82 HIF1A (0.34) HIF1ALMNAMANBATHRBPRKCA
SCHEMBL10110534 0.76 MEN1 (0.31) —
SCHEMBL7937980 0.75 HIF1A (0.41) HIF1ALMNAMANBATHRBCYP2C19
SCHEMBL10110527 0.74 LMNA (0.34) LMNAPRKCAPRKD3PRKCGPRKCB
SCHEMBL13120130 0.72 HIF1A (0.35) HIF1ALMNAMANBATHRBCYP2C19
SCHEMBL13105442 0.72 HIF1A (0.35) HIF1ALMNAMANBATHRBCYP2C19
SCHEMBL10035728 0.69 — —
SCHEMBL17973347 0.69 — —
SCHEMBL12833579 0.68 HIF1A (0.34) HIF1ALMNAMANBATHRBCYP2C19
SCHEMBL20009694 0.68 HIF1A (0.39) HIF1ALMNAMANBATHRBCYP2C19

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 3000/4885LMNA 874/4885MANBA 3664/4885
US-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS EDNRB, TBXA2R, BDKRB1 HIF1A 2727/4885LMNA 1126/4885MANBA 3637/4885

“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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