SCHEMBL16451626

SCHEMBL16451626

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CCCOS(C)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
SQLE Q14534 8/20 0.54
FNTA P49354 2/20 0.46
FNTB P49356 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
UGT1A1 P22309 1/20 0.46
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
MMP9 P14780 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL16444883 1.00 KMT2A (0.55) KMT2ASQLEFNTAFNTBKDM4E
SCHEMBL16444884 1.00 KMT2A (0.55) KMT2ASQLEFNTAFNTBKDM4E
SCHEMBL15789609 1.00 KMT2A (0.55) KMT2ASQLEFNTAFNTBKDM4E
SCHEMBL15789606 1.00 KMT2A (0.55) KMT2ASQLEFNTAFNTBKDM4E
SCHEMBL15789533 0.95 KDM4E (0.48) KMT2ASQLEFNTAFNTBKDM4E
SCHEMBL15789535 0.95 KDM4E (0.48) KMT2ASQLEFNTAFNTBKDM4E
SCHEMBL11098200 0.81 ALDH1A1 (0.56) KMT2ASQLEFNTAFNTBKDM4E
SCHEMBL11098203 0.81 ALDH1A1 (0.56) KMT2ASQLEFNTAFNTBKDM4E
SCHEMBL14815131 0.81 ALDH1A1 (0.56) KMT2ASQLEFNTAFNTBKDM4E
SCHEMBL6191964 0.81 ALOX15 (0.56) KMT2AFNTAFNTBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9295630-B2 Vitamin C complexes CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-03-29 US disclosed
US-20150045426-A1 VITAMIN C COMPLEXES Universite Paris-Saclay (FR) 2015-02-12 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 (1 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-20150045426-A1 VITAMIN C COMPLEXES PROC, CYP27B1, CYP24A1 KMT2A 3357/4885SQLE 1002/4885FNTA 3651/4885

“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.