SCHEMBL2358713

SCHEMBL2358713

CCCCCCOc1c(C)cc(C(=O)O)cc1C

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.66
THRA P10827 2/20 0.65
THRB P10828 2/20 0.65
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
PLA2G4B P0C869 4/20 0.55
RARB P10826 3/20 0.53
ESR1 P03372 1/20 0.53
PLA2G4A P47712 1/20 0.50

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
SCHEMBL8644661 1.00 PLA2G2A (0.66) PLA2G2ATHRATHRBTP53TSHR
SCHEMBL25788081 1.00 PLA2G2A (0.66) PLA2G2ATHRATHRBTP53TSHR
SCHEMBL1749419 0.93 THRA (0.56) PLA2G2ATHRATHRBTP53TSHR
SCHEMBL4141214 0.91 PLA2G2A (0.59) PLA2G2ATHRATHRBTP53TSHR
SCHEMBL25789856 0.90 PLA2G2A (0.57) PLA2G2ATHRATHRBTP53TSHR
SCHEMBL4898800 0.89 THRA (0.63) PLA2G2ATHRATHRBTP53TSHR
SCHEMBL2307486 0.88 PLA2G2A (0.56) PLA2G2ATHRATHRBPLA2G4B
SCHEMBL9622975 0.86 PLAU (0.49) PLA2G2ATHRATHRB
SCHEMBL11343479 0.85 THRA (0.63) PLA2G2ATHRATHRBTP53TSHR
SCHEMBL13617706 0.85 THRA (0.63) PLA2G2ATHRATHRBTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846366-B1 NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-08-03 EP disclosed
EP-1846366-B1 NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-08-03 EP disclosed
US-7718703-B2 Norvaline derivative and method for preparation thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-18 US disclosed
US-7718703-B2 Norvaline derivative and method for preparation thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-18 US disclosed
US-7718703-B2 Norvaline derivative and method for preparation thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-18 US disclosed
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-27 US disclosed
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-27 US disclosed
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-27 US disclosed
EP-1846366-A1 NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF TANABE SEIYAKU CO., LTD. (JP) 2007-10-24 EP disclosed
WO-2006080477-A1 NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF TANABE SEIYAKU CO., LTD. (JP) 2006-08-03 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 (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-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof SLC38A7, SLC7A1, SLC6A7 PLA2G2A 3858/4885THRA 1548/4885THRB 1355/4885

“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.