SCHEMBL3165265

SCHEMBL3165265

[CH2]CCCCC(C)(O)CO

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3153309 0.92
SCHEMBL14224578 0.84 ALDH1A1 (0.37) ALDH1A1
SCHEMBL268997 0.81
SCHEMBL28066303 0.79 ALDH1A1 (0.47) ALDH1A1
SCHEMBL9150965 0.78
SCHEMBL16074880 0.77 CYP4F2 (0.41) ALDH1A1
SCHEMBL16074707 0.77 CYP4F2 (0.41) ALDH1A1
SCHEMBL16074799 0.77 CYP4F2 (0.41) ALDH1A1
SCHEMBL16074969 0.77 CYP4F2 (0.41) ALDH1A1
SCHEMBL16074771 0.77 CYP4F2 (0.41) ALDH1A1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1026155-A1 VITAMIN D DERIVATIVES AND PROCESS FOR PRODUCING THE SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-08-09 EP claimed
US-5824811-A 22-Thiavitamin D3 derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1998-10-20 US claimed
EP-1219599-B1 VITAMIN D DERIVATIVES HAVING SUBSTITUENTS AT THE 2 ALPHA-POSITION TAKAYAMA HIROAKI (JP) 2010-03-31 EP disclosed
US-7465541-B1 Vitamin D3-responsive sequences located 5′-upstream of p27/kip 1 gene and methods of screening for pharmaceutical agents using the sequences TOSHIYUKI SAKAI (JP) 2008-12-16 US disclosed
EP-0870503-B9 use of vitamin D derivatives for the manufacture of a medicament for treating MALIGNANT TUMOR METASTASIS CHUGAI PHARMACEUTICAL CO LTD (JP) 2006-06-28 EP disclosed
US-20050113349-A1 2-Alpha vitamin D derivatives having substituents HIROAKI TAKAYAMA (JP) 2005-05-26 US disclosed
EP-0870503-B1 use of vitamin D derivatives for the manufacture of a medicament for treating MALIGNANT TUMOR METASTASIS CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2005-03-16 EP disclosed
EP-0947504-B1 16-ENE-VITAMIN D DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2003-09-03 EP disclosed
US-6566351-B1 Administering dihydroxyvitamin D3 derivative for inhibiting bone metastasis of malignant tumor in a patient in need of such inhibition and without treating the underlying cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-05-20 US 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
EP-1026155-A1 VITAMIN D DERIVATIVES AND PROCESS FOR PRODUCING THE SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-08-09 EP disclosed
CN-1046502-C 22-thio vitamin D3Derivatives of the same CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-11-17 CN disclosed
US-5977092-A Drug for curing/ameliorating concomitant syndrome of tumor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-11-02 US disclosed
EP-0947504-A1 16-ENE-VITAMIN D DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-06 EP disclosed
US-5824811-A 22-Thiavitamin D3 derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1998-10-20 US disclosed
EP-0870503-A1 MALIGNANT TUMOR METASTASIS INHIBITORS Chugai Seiyaku Kabushiki Kaisha (JP) 1998-10-14 EP disclosed
CN-1148380-A 22-thiavitamin D3 derivative CHUGAI PHARMACEUTICAL CO LTD (JP) 1997-04-23 CN disclosed
EP-0764443-A1 AMELIORANT OR REMEDY FOR PARANEOPLASTIC SYNDROME Chugai Seiyaku Kabushiki Kaisha (JP) 1997-03-26 EP disclosed
EP-0755922-A1 22-THIAVITAMIN D 3 DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-01-29 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 (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-20020193616-A1 16-ENE-VITAMIN D DERIVATIVES VDR, CYP24A1, CYP2R1 ALDH1A1 685/4885
US-20050113349-A1 2-Alpha vitamin D derivatives having substituents CYP24A1, CYP2R1, VDR ALDH1A1 204/4885

“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.