SCHEMBL9286512

SCHEMBL9286512

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.38
LMNA P02545 4/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 2/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
LTA4H P09960 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL13082997 0.90 FAAH (0.40) FAAHLMNACYP1A2CYP2C19KMT2A
SCHEMBL6128441 0.89 FAAH (0.38) FAAHLMNACYP1A2CYP2C19KMT2A
SCHEMBL6128442 0.88 FAAH (0.40) FAAHLMNACYP1A2CYP2C19KMT2A
SCHEMBL9285946 0.86 PTPN1 (0.40) LMNATSHRTHRATHRBSMN1; SMN2
SCHEMBL9289272 0.84 LMNA (0.38) FAAHLMNACYP1A2CYP2C19KMT2A
SCHEMBL9286581 0.83 MAPT (0.38) FAAHLMNACYP1A2CYP2C19KMT2A
SCHEMBL13082977 0.83 FAAH (0.38) FAAHLMNACYP1A2CYP2C19KMT2A
SCHEMBL12110940 0.83 FAAH (0.38) FAAHLMNACYP1A2CYP2C19KMT2A
SCHEMBL12111118 0.82 FAAH (0.36) FAAHLMNACYP1A2CYP2C19KMT2A
SCHEMBL12110938 0.82 FAAH (0.40) FAAHLMNACYP1A2CYP2C19KMT2A

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 4 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
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 4449/4885LMNA 3089/4885CYP1A2 844/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A FAAH 4449/4885LMNA 3089/4885CYP1A2 844/4885

“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.