SCHEMBL9289334

SCHEMBL9289334

CCCCOc1c(Br)c(C(C)(C)NCC(C)C)c(F)c(C)c1C(=O)Oc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.35
SLC2A1 P11166 1/20 0.33
KMT2A Q03164 3/20 0.32
LMNA P02545 3/20 0.32
NPC1 O15118 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALOX5 P09917 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL9289695 0.89 ADRB2 (0.36) LMNAL3MBTL1MAPT
SCHEMBL18602758 0.80 FAAH (0.39) FAAHKMT2ALMNANPC1CYP1A2
SCHEMBL9289071 0.80 LMNA (0.38) FAAHKMT2ALMNANPC1CYP1A2
SCHEMBL9286288 0.79 POLB (0.37) FAAHKMT2ANPC1POLB
SCHEMBL9289915 0.78 LMNA (0.39) FAAHKMT2ALMNANPC1CYP1A2
SCHEMBL16299335 0.78 FAAH (0.36) FAAHKMT2ALMNANPC1CYP1A2
SCHEMBL6128441 0.77 FAAH (0.38) FAAHKMT2ALMNANPC1CYP1A2
SCHEMBL18525123 0.77 FAAH (0.36) FAAHKMT2ALMNANPC1CYP1A2
SCHEMBL16299327 0.77 FAAH (0.37) FAAHKMT2ALMNANPC1CYP1A2
SCHEMBL9290150 0.77 FAAH (0.36) FAAHKMT2ALMNACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 4449/4885SLC2A1 3731/4885KMT2A 2833/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A FAAH 4449/4885SLC2A1 3731/4885KMT2A 2833/4885

“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.