SCHEMBL1534042

SCHEMBL1534042

Cc1c(C(F)(F)F)ccc(OCc2ccccc2)c1C(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
MRGPRX4 Q96LA9 5/20 0.44
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN1 P18031 1/20 0.43
MAPK1 P28482 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PTGER1 P34995 1/20 0.41
CA9 Q16790 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
SCHEMBL24926991 0.84 MAPT (0.46) RXRARXRBRXRGMRGPRX4MAPT
SCHEMBL1534095 0.84 MAOB (0.41) MRGPRX4MAPTL3MBTL1SMN1; SMN2MAPK1
SCHEMBL1534081 0.83 CTSV (0.48) RXRAMRGPRX4MAPTTDP1L3MBTL1
SCHEMBL20370127 0.81 PTPN1 (0.48) RXRARXRBRXRGMAPTTDP1
SCHEMBL24926906 0.81 MRGPRX4 (0.46) RXRARXRBMRGPRX4MAPTTDP1
SCHEMBL17692720 0.80 NPC1 (0.41) RXRAMRGPRX4SMN1; SMN2
SCHEMBL19634982 0.79 MAOB (0.43) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL12108765 0.79 MRGPRX4 (0.40) RXRARXRBRXRGMRGPRX4SMN1; SMN2
SCHEMBL1534069 0.79 ELANE (0.39) RXRAMAPTTDP1L3MBTL1CYP2C9
SCHEMBL1534079 0.78 HSD17B10 (0.44) MAPTTDP1L3MBTL1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT TETRAPHASE PHARMACEUTICALS, INC. 2023-02-02 US disclosed
CN-105622496-B Tetracycline compound 四相制药公司 2019-03-05 CN disclosed
EP-3275861-A1 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2018-01-31 EP disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
EP-2470500-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-10-04 EP disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
CN-105622496-A Tetracycline compounds TETRAPHASE PHARMACEUTICALS INC 2016-06-01 CN disclosed
CN-102596898-B tetracycline compound TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-01-27 CN disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US disclosed
CN-102596898-A Tetracycline compound TETRAPHASE PHARMACEUTICALS INC 2012-07-18 CN disclosed
EP-2470500-A2 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2012-07-04 EP disclosed
WO-2011025982-A2 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2011-03-03 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 (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-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT MCL1, ABL1, MALT1 RXRA 3460/4885RXRB 3684/4885RXRG 3827/4885
US-20170334841-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1A, TUBA1C RXRA 3508/4885RXRB 3597/4885RXRG 3779/4885
US-20120208788-A1 Tetracycline Compounds TUBA1A, TUBA1C, TUBB1 RXRA 3736/4885RXRB 3816/4885RXRG 4030/4885

“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.