SCHEMBL1603291

SCHEMBL1603291

CC(C)(C)OC(=O)NC1(CCc2ccc(CCCCCO)cc2)COC(C)(C)OC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 4/20 0.39
CYP4F2 P78329 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
NR1H2 P55055 1/20 0.35
PPARA Q07869 1/20 0.34
GLS O94925 2/20 0.34
SIGMAR1 Q99720 3/20 0.33
CA2 P00918 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
CA1 P00915 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
KCNH2 Q12809 1/20 0.32
PPIA P62937 1/20 0.32

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
SCHEMBL15804691 1.00 CYP4A11 (0.39) CYP4A11CYP4F2TDP1NR1H2PPARA
SCHEMBL2724637 0.92 THRA (0.40) SPHK1
SCHEMBL15804692 0.91 GLS (0.34) PPARAGLSSIGMAR1CA2POLB
SCHEMBL15796719 0.84 CYP4A11 (0.41) CYP4A11CYP4F2PPARACA2SPHK1
SCHEMBL3120458 0.81 PPARG (0.42) SIGMAR1PPIA
SCHEMBL2052924 0.80 PPARA (0.33) PPARAGLSSPHK1
SCHEMBL565901 0.80 SPHK1 (0.39) POLBSPHK1
SCHEMBL4149000 0.79 THRA (0.36) PPARA
SCHEMBL4137663 0.79 THRA (0.36) PPARA
SCHEMBL17733226 0.78 MTNR1B (0.39) GLSSIGMAR1

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-8277775-B2 Boron dipyrromethene difluoro (BODIPY) conjugates THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2012-10-02 US disclosed
US-20110082300-A1 Boron Dipyrromethene Difluoro (Bodipy) Conjugates RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2011-04-07 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-20110082300-A1 Boron Dipyrromethene Difluoro (Bodipy) Conjugates S1PR5, S1PR3, S1PR4 CYP4A11 2224/4885CYP4F2 632/4885TDP1 1486/4885

“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.