SCHEMBL9282948

SCHEMBL9282948

Cc1c(F)c(F)cc(OCc2ccccc2)c1C(=O)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.44
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
EDNRA P25101 1/20 0.42
NPC1 O15118 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 3/20 0.41
PTGER1 P34995 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PTPN1 P18031 1/20 0.41
NR4A2 P43354 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL9282844 0.88 MRGPRX4 (0.43) MRGPRX4MAPTTDP1L3MBTL1MAPK1
SCHEMBL18511759 0.86 MRGPRX4 (0.52) MRGPRX4MAPTTDP1L3MBTL1MAPK1
SCHEMBL24926991 0.85 MAPT (0.46) MRGPRX4MAPTTDP1L3MBTL1MAPK1
SCHEMBL9289088 0.84 FAAH (0.42) CYP2C9CYP2C19
SCHEMBL9283161 0.83 NSD2 (0.41) MAPTL3MBTL1MAPK1NPC1CYP2C19
SCHEMBL9283249 0.81 MCL1 (0.43) MRGPRX4MAPTTDP1L3MBTL1MAPK1
SCHEMBL9279944 0.81 NPC1 (0.44) MRGPRX4NPC1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9284188 0.80 MCL1 (0.42) MRGPRX4MAPTTDP1L3MBTL1MAPK1
SCHEMBL20370139 0.80 PTPN1 (0.45) MAPK1EDNRANPC1SMN1; SMN2MAOB
SCHEMBL9287256 0.80 PDE4A (0.51) MRGPRX4MAPTNPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190077803-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-03-14 US disclosed
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 MRGPRX4 4727/4885MAPT 103/4885TDP1 1640/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A MRGPRX4 4727/4885MAPT 103/4885TDP1 1640/4885
US-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A MRGPRX4 4727/4885MAPT 103/4885TDP1 1640/4885

“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.