SCHEMBL5541338

SCHEMBL5541338

COc1ccc(C=O)cc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 1/20 0.61
MAPT P10636 8/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
POLB P06746 3/20 0.54
HPGD P15428 4/20 0.50
ALDH1A1 P00352 5/20 0.49
TTR P02766 1/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 4/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46

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
SCHEMBL2696984 0.95 ESRRA (0.67) ESRRAMAPTMEN1KMT2APOLB
SCHEMBL5022771 0.86 ESRRA (0.49) ESRRAMAPTMEN1KMT2APOLB
SCHEMBL5539774 0.84 ESRRA (0.54) ESRRAMAPTMEN1KMT2APOLB
SCHEMBL34420057 0.82 ALDH1A1 (0.57) ESRRAMAPTMEN1KMT2AHPGD
SCHEMBL1632412 0.82 ALDH1A1 (0.57) ESRRAMAPTMEN1KMT2AHPGD
SCHEMBL10980033 0.82 MAPT (0.61) ESRRAMAPTMEN1KMT2APOLB
SCHEMBL5022755 0.81 ALDH1A1 (0.71) ESRRAMAPTMEN1KMT2APOLB
SCHEMBL4059573 0.80 ESRRA (0.58) ESRRAMAPTMEN1KMT2AHPGD
SCHEMBL5539772 0.80 TTR (0.64) ESRRAMAPTMEN1KMT2APOLB
SCHEMBL5512248 0.79 MAPT (0.63) ESRRAMAPTMEN1KMT2APOLB

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
EP-1554262-B1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD (IN) 2007-12-05 EP disclosed
US-7238725-B2 Tricyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS LTD. (IN) 2007-07-03 US disclosed
US-20060178418-A1 Novel tricyclic compounds useful for the treatment of inflammatory and allergic disorders:process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS LTD. (IN) 2006-08-10 US disclosed
EP-1554262-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Glenmark Pharmaceuticals Limited (IN) 2005-07-20 EP disclosed
WO-2004037805-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD. (US) 2004-05-06 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-20060178418-A1 Novel tricyclic compounds useful for the treatment of inflammatory and allergic disorders:process for their preparation and pharmaceutical compositions containing them LTC4S, TSLP, GPR119 ESRRA 1414/4885MAPT 783/4885MEN1 3092/4885

“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.