SCHEMBL9288808

SCHEMBL9288808

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
FAAH O00519 7/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARG P37231 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
PTPN1 P18031 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 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
SCHEMBL9286528 0.87 L3MBTL1 (0.39) MAPTFAAHPTGESALOX5PPARG
SCHEMBL10262591 0.87 FAAH (0.38) MAPTFAAHPTGESALOX5PPARG
SCHEMBL13082725 0.86 MAPT (0.41) MAPTFAAHPTGESALOX5PPARG
SCHEMBL9289256 0.86 FAAH (0.38) FAAHPTGESALOX5PPARGPTGDR2
SCHEMBL18523775 0.86 MCL1 (0.42) MAPTPTPN1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL9286396 0.84 MAPT (0.40) MAPTFAAHPTGESALOX5PPARG
SCHEMBL9286617 0.84 PTGDR2 (0.39) FAAHPTGESALOX5PPARGPTGDR2
SCHEMBL9290055 0.83 MAPT (0.39) MAPTFAAHPTGESALOX5PPARG
SCHEMBL9289973 0.83 FAAH (0.37) MAPTFAAHPTGESALOX5PPARG
SCHEMBL15521285 0.83 PTGDR2 (0.36) FAAHPTGESALOX5PPARGPTGDR2

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 8 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
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 4683/4885PTGES 2190/4885
US-20170044160-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A MAPT 103/4885FAAH 4449/4885PTGES 1415/4885
US-20110269714-A1 Polycyclic Tetracycline Compounds TET1, TUBA1C, TUBB MAPT 207/4885FAAH 4683/4885PTGES 2190/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A MAPT 103/4885FAAH 4449/4885PTGES 1415/4885

“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.