SCHEMBL5016531

SCHEMBL5016531

CCOc1c(C)cc(C(=O)O)c2c3ccccc3n(Cc3ccccc3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
GAA P10253 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 2/20 0.47
NOTUM Q6P988 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
FABP4 P15090 4/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
CCR2 P41597 1/20 0.41
TP53 P04637 2/20 0.41
ATM Q13315 1/20 0.40
FABP3 P05413 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5017921 0.90 KDR (0.43) KDM4EGAAALDH1A1HSD17B10NOTUM
SCHEMBL5018089 0.89 CCR2 (0.50) KDM4EGAAALDH1A1HSD17B10NOTUM
SCHEMBL5023444 0.85 ALDH1A1 (0.38) KDM4EGAAALDH1A1HSD17B10NOTUM
SCHEMBL5023425 0.81 CNR2 (0.46) KDM4EGAAALDH1A1HSD17B10NOTUM
SCHEMBL5023377 0.80 AR (0.48) POLBMEN1KMT2ALMNA
SCHEMBL5016530 0.74 POLB (0.47) KDM4EGAAALDH1A1POLBMEN1
SCHEMBL5016435 0.74 PTGDR2 (0.47) KDM4EGAAALDH1A1HSD17B10NOTUM
SCHEMBL8388463 0.73 PLA2G2A (0.43) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL8388869 0.72 MEN1 (0.44) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL5023025 0.72 MAPT (0.43) KDM4EGAAALDH1A1HSD17B10NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146810-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2008-06-19 US disclosed
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 (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-20080146810-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 KDM4E 4205/4885GAA 681/4885ALDH1A1 2372/4885
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 KDM4E 4205/4885GAA 681/4885ALDH1A1 2372/4885

“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.