SCHEMBL3158115

SCHEMBL3158115

[CH2]CCCCC(CCC)C(O)CC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
SPHK1 Q9NYA1 2/20 0.32
CYP2D6 P10635 2/20 0.31
GMNN O75496 1/20 0.31
POLB P06746 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
BLM P54132 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CETP P11597 1/20 0.31
HTT P42858 1/20 0.31
UBE2N P61088 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
SCHEMBL3159822 0.94 LMNA (0.40) LMNA
SCHEMBL3162273 0.85 LMNA (0.43) LMNA
SCHEMBL8896279 0.85 SPHK1 (0.45) LMNASPHK1CYP2D6GMNNPOLB
SCHEMBL7191735 0.82 LMNA (0.44) LMNASPHK1CYP2D6GMNNPOLB
SCHEMBL3157975 0.80 LMNA (0.43) LMNASPHK1CYP2D6GMNNPOLB
SCHEMBL10635542 0.79 SPHK1 (0.50) LMNASPHK1CYP2D6GMNNPOLB
SCHEMBL10632703 0.79 SPHK1 (0.50) LMNASPHK1CYP2D6GMNNPOLB
SCHEMBL6664800 0.78 LMNA (0.46) LMNASPHK1CYP2D6GMNNPOLB
SCHEMBL3163364 0.78 LMNA (0.44) LMNA
SCHEMBL26211760 0.78 SPHK1 (0.52) LMNASPHK1CYP2D6GMNNPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1219599-B1 VITAMIN D DERIVATIVES HAVING SUBSTITUENTS AT THE 2 ALPHA-POSITION TAKAYAMA HIROAKI (JP) 2010-03-31 EP disclosed
US-20050113349-A1 2-Alpha vitamin D derivatives having substituents HIROAKI TAKAYAMA (JP) 2005-05-26 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
EP-1219599-A1 VITAMIN D DERIVATIVES HAVING SUBSTITUENTS AT THE 2 ALPHA-POSITION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-03 EP 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
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-20020193616-A1 16-ENE-VITAMIN D DERIVATIVES VDR, CYP24A1, CYP2R1 LMNA 1636/4885SPHK1 4029/4885CYP2D6 402/4885
US-20050113349-A1 2-Alpha vitamin D derivatives having substituents CYP24A1, CYP2R1, VDR LMNA 944/4885SPHK1 2013/4885CYP2D6 377/4885
US-20020032340-A1 16-ene-vitamin D derivatives VDR, CYP2R1, CYP24A1 LMNA 3455/4885SPHK1 3346/4885CYP2D6 179/4885

“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.