SCHEMBL9289201

SCHEMBL9289201

CCCCOc1cc(Br)c(N(C)C)c(C)c1C(=O)Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.38
ALOX5 P09917 5/20 0.38
PPARG P37231 5/20 0.38
PPARA Q07869 5/20 0.38
PTGES O14684 4/20 0.38
MAPT P10636 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ADAM17 P78536 1/20 0.38
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL9289231 0.90 FAAH (0.38) FAAHALOX5PPARGPPARAPTGES
SCHEMBL9289030 0.90 ALOX5 (0.38) FAAHALOX5PPARGPPARAPTGES
SCHEMBL17695330 0.88 FAAH (0.42) FAAHALOX5PPARGPPARAPTGES
SCHEMBL15521288 0.86 KDM4E (0.36) FAAHALOX5PPARGPPARAPTGES
SCHEMBL9286601 0.86 LTB4R (0.40) ALOX5MAPTMMP9MMP13ADAM17
SCHEMBL15521306 0.85 PPARG (0.38) FAAHPPARGPPARAMMP9MMP13
SCHEMBL10262835 0.85 FAAH (0.40) FAAHALOX5PPARGPPARAPTGES
SCHEMBL9286396 0.84 MAPT (0.40) FAAHALOX5PPARGPPARAPTGES
SCHEMBL9286724 0.84 FAAH (0.41) FAAHALOX5PPARGPPARAPTGES
SCHEMBL9289332 0.83 THRA (0.41) FAAHALOX5PPARGPPARAPTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427425-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 US disclosed
US-9315451-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-04-19 US disclosed
US-20120135968-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
WO-2012021712-A1 TETRACYCLINE ANALOGS TETRAPHASE PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2010129057-A2 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2010-11-11 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-20170044160-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A FAAH 4449/4885ALOX5 4070/4885PPARG 2568/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A FAAH 4449/4885ALOX5 4070/4885PPARG 2568/4885

“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.