SCHEMBL1131055

SCHEMBL1131055

N[C@H]1c2ccccc2CC[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.50
▸ IDO1 P14902 3/20 0.48
▸ SLC18A3 Q16572 1/20 0.46
▸ PDPK1 O15530 1/20 0.44
▸ PLAU P00749 1/20 0.44
▸ HTR2A P28223 2/20 0.42
▸ RET P07949 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42

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
SCHEMBL1131720 1.00 ANPEP (0.50) ANPEPIDO1SLC18A3PDPK1PLAU
SCHEMBL30628883 1.00 ANPEP (0.50) ANPEPIDO1SLC18A3PDPK1PLAU
SCHEMBL29277815 1.00 ANPEP (0.50) ANPEPIDO1SLC18A3PDPK1PLAU
SCHEMBL1131717 1.00 ANPEP (0.50) ANPEPIDO1SLC18A3PDPK1PLAU
SCHEMBL5106131 1.00 ANPEP (0.50) ANPEPIDO1SLC18A3PDPK1PLAU
SCHEMBL30777230 1.00 ANPEP (0.50) ANPEPIDO1SLC18A3PDPK1PLAU
SCHEMBL31136363 1.00 ANPEP (0.50) ANPEPIDO1SLC18A3PDPK1PLAU
SCHEMBL6097487 1.00 ANPEP (0.50) ANPEPIDO1SLC18A3PDPK1PLAU
SCHEMBL21782566 1.00 ANPEP (0.50) ANPEPIDO1SLC18A3PDPK1PLAU
SCHEMBL6338202 0.89 IDO1 (0.51) ANPEPIDO1SLC18A3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759555-B2 Stereoselective synthesis of vitamin D analogues LEO PHARMA A/S (DK) 2014-06-24 — — US disclosed
US-8362287-B2 Stereoselective synthesis of vitamin D analogues LEO PHARMA A/S (DK) 2013-01-29 — — US disclosed
US-20120271058-A1 STEREOSELECTIVE SYNTHESIS OF VITAMIN D ANALOGUES SABROE THOMAS PETER (DK) 2012-10-25 — — US disclosed
EP-1735276-B1 NOVEL METHOD FOR THE PREPARATION OF INTERMEDIATES USEFUL FOR THE SYNTHESIS OF VITAMIN D ANALOGUES LEO PHARMA AS (DK) 2011-02-16 — — EP disclosed
EP-1730108-B1 STEREOSELECTIVE SYNTHESIS OF VITAMIN D ANALOGUES LEO PHARMA AS (DK) 2008-03-26 — — EP disclosed
US-20070135395-A1 Novel method for the preparation of intermediates useful for the synthesis fo vitamin d analogues LEO PHARMA A/S (DK) 2007-06-14 — — US disclosed
US-20070027333-A1 Stereoselective synthesis of vitamin d analogues LEO PHARMA A/S (DK) 2007-02-01 — — 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 (3 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-20070027333-A1 Stereoselective synthesis of vitamin d analogues CYP24A1, CYP2R1, VDR ANPEP 1385/4885IDO1 3945/4885SLC18A3 3845/4885
US-20120271058-A1 STEREOSELECTIVE SYNTHESIS OF VITAMIN D ANALOGUES CYP24A1, CYP2R1, VDR ANPEP 1385/4885IDO1 3945/4885SLC18A3 3845/4885
US-20070135395-A1 Novel method for the preparation of intermediates useful for the synthesis fo vitamin d analogues CYP2R1, CYP24A1, CYP27B1 ANPEP 2533/4885IDO1 3459/4885SLC18A3 3063/4885

“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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