SCHEMBL8996035

SCHEMBL8996035

CCCCOc1cccc(F)c1O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP2C9 P11712 2/20 0.50
TDP1 Q9NUW8 2/20 0.47
FAAH O00519 9/20 0.47
MCHR1 Q99705 1/20 0.44
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
PTPN1 P18031 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LTA4H P09960 1/20 0.42

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
SCHEMBL4960145 0.88 CYP1A2 (0.57) CYP1A2CYP2C19CYP2C9MCHR1ALOX5
SCHEMBL67765 0.85 CYP1A2 (0.53) CYP1A2CYP2C19CYP2C9MCHR1ALOX5
SCHEMBL427889 0.83 L3MBTL1 (0.53) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL4960319 0.82 MEN1 (0.53) CYP1A2CYP2C19CYP2C9MCHR1ALOX5
SCHEMBL255559 0.82 L3MBTL1 (0.72) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL4015318 0.82 L3MBTL1 (0.56) L3MBTL1CYP1A2CYP2C19TDP1PTGS2
SCHEMBL27724474 0.82 L3MBTL1 (0.49) L3MBTL1CYP1A2CYP2C19TDP1CYP2D6
SCHEMBL12648399 0.81 L3MBTL1 (0.51) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL13696485 0.81 L3MBTL1 (0.51) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL27724756 0.81 L3MBTL1 (0.47) L3MBTL1CYP1A2CYP2C19TDP1CYP2D6

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-20110104055-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH INC. 2011-05-05 US disclosed
US-20090060838-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH INC. 2009-03-05 US disclosed
EP-0537742-B1 Styrene derivatives MITSUBISHI CHEM CORP (JP) 1996-08-21 EP disclosed
US-5514711-A ANTICARCINOGENIC AGENTS; SIDE EFFECT REDUCTION MITSUBISHI CHEMICAL CORPORATION (JP) 1996-05-07 US disclosed
EP-0537742-A2 Styrene derivatives Mitsubishi Chemical Corporation (JP) 1993-04-21 EP 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-20090060838-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES IAPP, SNCA, BACE2 L3MBTL1 2031/4885CYP1A2 1743/4885CYP2C19 4334/4885
US-20110104055-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES IAPP, SNCA, BACE2 L3MBTL1 2044/4885CYP1A2 1461/4885CYP2C19 4170/4885

“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.