SCHEMBL5153717

SCHEMBL5153717

[CH2]/C=C/CC(O)(CCC)C(O)CC

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL5153723 1.00 TSHR (0.32) TSHR
SCHEMBL7165740 0.84 TSHR (0.31) TSHR
SCHEMBL7165745 0.84 TSHR (0.31) TSHR
SCHEMBL7166239 0.84 TSHR (0.31) TSHR
SCHEMBL7166238 0.84 TSHR (0.31) TSHR
SCHEMBL7160065 0.77
SCHEMBL7160063 0.77
SCHEMBL5153524 0.77 TSHR (0.34) TSHR
SCHEMBL3160263 0.74 TSHR (0.39) TSHR
SCHEMBL3167182 0.72 TSHR (0.37) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1103300-B1 ULTRAVIOLET IRRADIATION APPARATUS FOR PHOTOCHEMICAL REACTION AND METHOD FOR PREPARING VITAMIN D DERIVATIVE USING THE SAME CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-01-03 EP disclosed
US-6902654-B2 Ultraviolet irradiation apparatus for photochemical reaction and preparation process of vitamin D derivative making use of the same CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-06-07 US disclosed
US-20040108198-A1 Ultraviolet irradiation apparatus for photochemical reaction and preparation process of vitamin D derivative making use of the same CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-06-10 US disclosed
EP-0947504-B1 16-ENE-VITAMIN D DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2003-09-03 EP disclosed
US-6555699-B2 Antitumor and antirheumatic agents, high binding affinity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-29 US disclosed
US-20020193616-A1 16-ENE-VITAMIN D DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-12-19 US disclosed
US-6433200-B1 ANTITUMOR AND ANTIRHEUMATIC AGENTS, HIGH BINDING AFINITY TO VITAMIN D RECEPTORS AND WEAK HYPERCALCEMIC ACTIVITY CHUGEI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-13 US disclosed
US-20020032340-A1 16-ene-vitamin D derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-03-14 US disclosed
EP-1174424-A1 3-METHYLATED VITAMIN D DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-01-23 EP disclosed
US-6326503-B1 ANTITUMOR AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-04 US disclosed
EP-1158297-A1 METHOD FOR SCREENING COMPOUND HAVING AFFINITY FOR VITAMIN D RECEPTOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-11-28 EP disclosed
EP-1103300-A1 ULTRAVIOLET IRRADIATION APPARATUS FOR PHOTOCHEMICAL REACTION AND METHOD FOR PREPARING VITAMIN D DERIVATIVE USING THE SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-05-30 EP disclosed
US-6184398-B1 ANTITUMOR AGENTS AND TREATMENT OF RHEUMATIC CONDITIONS; HIGH BINDING ABILITY TO VITAMIN D RECEPTORS AND WEAK HYPERCALCEMIC ACTIVITY; E.G.,1,3-DIHYDROXY-20-3-HYDROXY-3-METHYLBUTYLTHIO)-9,10-SECOPREGNA -5,7,10(19),16-TETRAENE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-02-06 US disclosed
EP-0947504-A1 16-ENE-VITAMIN D DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-06 EP 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-20040108198-A1 Ultraviolet irradiation apparatus for photochemical reaction and preparation process of vitamin D derivative making use of the same VDR, GC, CYP24A1 TSHR 535/4885
US-20020193616-A1 16-ENE-VITAMIN D DERIVATIVES VDR, CYP24A1, CYP2R1 TSHR 432/4885
US-20020032340-A1 16-ene-vitamin D derivatives VDR, CYP2R1, CYP24A1 TSHR 333/4885

“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.