SCHEMBL4053537

SCHEMBL4053537

COc1ccc(OCc2cccnc2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
MAPT P10636 3/20 0.54
CYP1A2 P05177 1/20 0.54
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
FFAR1 O14842 3/20 0.47
FFAR4 Q5NUL3 1/20 0.47
PTGER4 P35408 1/20 0.47
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL4053460 0.87 PARP10 (0.46) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1503284 0.83 KDM4E (0.62) KDM4EMAPTCYP1A2RAB9ANPC1
SCHEMBL784516 0.77 RAB9A (0.62) KDM4ERAB9ANPC1SMN1; SMN2POLB
SCHEMBL29215741 0.77 HCAR2 (0.59) RAB9ANPC1SMN1; SMN2POLBTP53
SCHEMBL10699919 0.77 RAB9A (0.57) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Benzene SCHEMBL11818131 0.76 KDM4E (0.70) KDM4EMAPTCYP1A2SMN1; SMN2ALDH1A1
SCHEMBL353589 0.76 KDM4E (0.70) KDM4EMAPTCYP1A2SMN1; SMN2ALDH1A1
SCHEMBL2010909 0.75 FFAR1 (0.50) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL21408838 0.75 KDM4E (0.55) KDM4EMAPTCYP1A2FFAR1ALDH1A1
Hydrochloric Acid SCHEMBL17746085 0.74 KDM4E (0.68) KDM4EMAPTCYP1A2SMN1; SMN2ALDH1A1

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 KDM4E 1356/4885MAPT 4493/4885CYP1A2 626/4885

“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.