SCHEMBL5546412

SCHEMBL5546412

COc1c(C)cc(C(=O)O)c2c3cc(Cl)ccc3n(Cc3ccc(F)cc3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 3/20 0.46
TSHR P16473 3/20 0.46
CYP2C19 P33261 3/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
PMP22 Q01453 2/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 5/20 0.43
HIF1A Q16665 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43
PTGS2 P35354 1/20 0.42
CCR2 P41597 4/20 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
SCHEMBL5541552 0.85 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5025162 0.83 CYP3A4 (0.45) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5017993 0.82 FABP4 (0.45) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5025192 0.82 PPARG (0.42) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5017921 0.81 KDR (0.43) CYP3A4TSHRKDM4ELMNABLM
SCHEMBL5018089 0.80 CCR2 (0.50) KDM4EMAPTHSD17B10CCR2RXFP1
SCHEMBL5018020 0.80 ABCB11 (0.41) TSHRNPSR1MAPTHPGDTDP1
SCHEMBL6526591 0.79 RXFP1 (0.47) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5546407 0.78 LMNA (0.45) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL21465503 0.74 ABCB11 (0.51) CYP1A2CYP3A4CYP2C9TSHRCYP2C19

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 3 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

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 CYP1A2 713/4885CYP3A4 594/4885CYP2C9 1666/4885

“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.