SCHEMBL3629469

SCHEMBL3629469

CCCCCCCCCCCCC(CCC)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.44
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PLA2G2C Q5R387 1/20 0.41
NR1I2 O75469 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
MMP9 P14780 2/20 0.37
MMP13 P45452 2/20 0.37
ADAM17 P78536 2/20 0.37
MMP1 P03956 2/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
ALB P02768 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL3451562 1.00 MCHR1 (0.44) MCHR1CA12CA2CA9PLA2G2C
SCHEMBL3451564 1.00 MCHR1 (0.44) MCHR1CA12CA2CA9PLA2G2C
SCHEMBL10773783 0.97 MCHR1 (0.47) MCHR1CA12CA2CA9PLA2G2C
SCHEMBL5902719 0.97 MCHR1 (0.47) MCHR1CA12CA2CA9PLA2G2C
SCHEMBL25613650 0.97 MCHR1 (0.47) MCHR1CA12CA2CA9PLA2G2C
SCHEMBL31648088 0.97 MCHR1 (0.47) MCHR1CA12CA2CA9PLA2G2C
SCHEMBL3086955 0.97 MCHR1 (0.47) MCHR1CA12CA2CA9PLA2G2C
SCHEMBL15272323 0.97 MCHR1 (0.47) MCHR1CA12CA2CA9PLA2G2C
SCHEMBL2374757 0.97 MCHR1 (0.47) MCHR1CA12CA2CA9PLA2G2C
SCHEMBL29051969 0.91 MCHR1 (0.44) MCHR1CA12CA2CA9PLA2G2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687483-B2 Derivatives of branch-chain lipophilic molecular and uses thereof D-PHARM LTD. (IL) 2010-03-30 US disclosed
EP-1305322-B1 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF DPHARM LTD (IL) 2010-01-13 EP disclosed
US-20070135381-A1 Derivatives of branch-chain lipophilic molecular and uses thereof D-PHARM LTD. (IL) 2007-06-14 US disclosed
US-7186703-B2 Derivatives of branched-chain lipophilic molecules and uses thereof D-PHARM LTD. (IL) 2007-03-06 US disclosed
CN-1633440-A Branched-chain lipophilic molecule derivatives and uses thereof DPHARM LTD (IL) 2005-06-29 CN disclosed
EP-1305322-A4 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF DPHARM LTD (IL) 2005-04-13 EP disclosed
US-20030186897-A1 Derivatives of branched-chain lipophilic molecules and uses thereof D-PHARM, LTD. (IL) 2003-10-02 US disclosed
EP-1305322-A2 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF D-Pharm Ltd. (IL) 2003-05-02 EP disclosed
WO-2002011666-A2 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF D-PHARM LTD. (IL) 2002-02-14 WO 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-20070135381-A1 Derivatives of branch-chain lipophilic molecular and uses thereof PLIN3, GLS, LIPG MCHR1 4729/4885CA12 1912/4885CA2 3398/4885
US-20030186897-A1 Derivatives of branched-chain lipophilic molecules and uses thereof PLIN3, PLIN5, SLC27A1 MCHR1 4636/4885CA12 2170/4885CA2 3661/4885

“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.