SCHEMBL9283249

SCHEMBL9283249

Cc1c(Cl)c(Br)cc(OCc2ccccc2)c1C(=O)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
MRGPRX4 Q96LA9 3/20 0.43
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 1/20 0.40
MAPK14 Q16539 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
PTPN1 P18031 1/20 0.39
PTGER1 P34995 3/20 0.39
LRRK2 Q5S007 1/20 0.39
NR4A2 P43354 1/20 0.39

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
SCHEMBL9279944 0.86 NPC1 (0.44) MCL1MRGPRX4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9289884 0.86 MAPT (0.40) THRATHRBMAPTTDP1L3MBTL1
SCHEMBL9288603 0.85 SMN1; SMN2 (0.43) THRATHRBMAPTTDP1L3MBTL1
SCHEMBL9286396 0.85 MAPT (0.40) THRATHRBMAPTL3MBTL1MAPK1
SCHEMBL9284188 0.85 MCL1 (0.42) MCL1MRGPRX4MAPTTDP1L3MBTL1
SCHEMBL9286601 0.84 LTB4R (0.40) MAPTTDP1L3MBTL1MAPK1CYP2C9
SCHEMBL18523775 0.84 MCL1 (0.42) MCL1MRGPRX4MAPTTDP1L3MBTL1
SCHEMBL9279956 0.84 POLB (0.42) MAPTL3MBTL1CYP2C19SMN1; SMN2PTPN1
SCHEMBL9285361 0.83 MCL1 (0.41) MCL1MRGPRX4MAPTTDP1L3MBTL1
SCHEMBL9288669 0.82 NOX1 (0.39) THRATHRBMAPTTDP1L3MBTL1

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-20190077803-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-03-14 US disclosed
US-20170107179-A1 Polycyclic Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2017-04-20 US disclosed
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
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 US 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

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

For each of this compound's patents that has machine-readable text (5 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 MCL1 1404/4885MRGPRX4 4733/4885THRA 791/4885
US-20170044160-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A MCL1 2770/4885MRGPRX4 4727/4885THRA 256/4885
US-20110269714-A1 Polycyclic Tetracycline Compounds TET1, TUBA1C, TUBB MCL1 1404/4885MRGPRX4 4733/4885THRA 791/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A MCL1 2770/4885MRGPRX4 4727/4885THRA 256/4885
US-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A MCL1 2770/4885MRGPRX4 4727/4885THRA 256/4885

“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.