SCHEMBL4054048

SCHEMBL4054048

O=C1c2ccncc2CCc2ccc(O)cc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.59
PBRM1 Q86U86 1/20 0.54
AKR1B1 P15121 1/20 0.52
MAPK14 Q16539 4/20 0.51
TNF P01375 3/20 0.50
MIF P14174 1/20 0.48
MAOB P27338 3/20 0.48
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOA P21397 2/20 0.44
ESR1 P03372 1/20 0.44
UGT1A1 P22309 1/20 0.44
ESR2 Q92731 1/20 0.44

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
SCHEMBL4062549 0.90 CYP19A1 (0.59) CYP19A1PBRM1AKR1B1MAPK14TNF
SCHEMBL4051243 0.83 TYMS (0.43) CYP19A1AKR1B1MAPK14MIFMAOB
SCHEMBL13771200 0.81 CYP19A1 (0.41) CYP19A1PBRM1AKR1B1MAPK14TNF
SCHEMBL11089109 0.80 TDP1 (0.69) CYP19A1PBRM1AKR1B1MAPK14MIF
SCHEMBL4062450 0.80 CES1 (0.61) CYP19A1TNFMIFMAOBTDP1
SCHEMBL4053805 0.78 MAPT (0.49) TDP1
SCHEMBL2317919 0.74 AKR1B1 (0.59) PBRM1AKR1B1MAPK14MIFMAOB
SCHEMBL4061889 0.74 PBRM1 (0.50) CYP19A1PBRM1AKR1B1MAPK14TNF
SCHEMBL11684328 0.72 AKR1B1 (0.64) PBRM1AKR1B1MAPK14MIFMAOB
SCHEMBL8756228 0.72 MAOA (0.59) CYP19A1PBRM1AKR1B1MAPK14TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
EP-1560834-B1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL LAB (ES) 2008-06-25 EP disclosed
EP-1560834-B1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL LAB (ES) 2008-06-25 EP disclosed
US-20060116363-A1 Tricyclic derivatives as ltd4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-01 US disclosed
EP-1560834-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2005-08-10 EP disclosed
WO-2004043966-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL PRODESFARMA S.A. (ES) 2004-05-27 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 (1 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-20060116363-A1 Tricyclic derivatives as ltd4 antagonists LTA4H, LTC4S, LTB4R2 CYP19A1 1505/4885PBRM1 3425/4885AKR1B1 1292/4885

“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.