SCHEMBL9286396

SCHEMBL9286396

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
FAAH O00519 7/20 0.40
ALOX5 P09917 5/20 0.39
PPARG P37231 5/20 0.39
PPARA Q07869 5/20 0.39
PTGES O14684 4/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL17695330 0.90 FAAH (0.42) FAAHALOX5PPARGPPARAPTGES
SCHEMBL13082725 0.88 MAPT (0.41) MAPTFAAHALOX5PPARGPPARA
SCHEMBL10262835 0.87 FAAH (0.40) FAAHALOX5PPARGPPARAPTGES
SCHEMBL9286724 0.86 FAAH (0.41) FAAHALOX5PPARGPPARAPTGES
SCHEMBL9289332 0.85 THRA (0.41) MAPTFAAHALOX5PPARGPPARA
SCHEMBL9290055 0.85 MAPT (0.39) MAPTFAAHALOX5PPARGPTGES
SCHEMBL9283249 0.85 MCL1 (0.43) MAPTTHRATHRBCYP2C19MAPK1
SCHEMBL9288808 0.84 MAPT (0.39) MAPTFAAHALOX5PPARGPTGES
SCHEMBL9289201 0.84 FAAH (0.38) MAPTFAAHALOX5PPARGPPARA
SCHEMBL10261813 0.84 PTGDR2 (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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107179-A1 Polycyclic Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2017-04-20 US disclosed
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 US disclosed
EP-2552890-B1 POLYCYCLIC TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-01-04 EP disclosed
US-9371283-B2 Polycyclic tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-06-21 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
US-20110269714-A1 Polycyclic Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2011-11-03 US disclosed
WO-2011123536-A1 POLYCYCLIC TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2011-10-06 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 (4 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-20170107179-A1 Polycyclic Tetracycline Compounds TET1, TUBA1C, TUBB MAPT 207/4885FAAH 4683/4885ALOX5 4429/4885
US-20170044160-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A MAPT 103/4885FAAH 4449/4885ALOX5 4070/4885
US-20110269714-A1 Polycyclic Tetracycline Compounds TET1, TUBA1C, TUBB MAPT 207/4885FAAH 4683/4885ALOX5 4429/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A MAPT 103/4885FAAH 4449/4885ALOX5 4070/4885

“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.