SCHEMBL3165118

SCHEMBL3165118

CCOC(=O)/C=C/c1cccc2c1ccn2C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ TBXAS1 P24557 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ IDH1 O75874 10/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38

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
SCHEMBL3165128 1.00 L3MBTL1 (0.48) L3MBTL1LMNAHTTNR1I2PGR
SCHEMBL5805797 0.85 L3MBTL1 (0.60) L3MBTL1LMNAHTTNR1I2PGR
SCHEMBL5805792 0.85 L3MBTL1 (0.60) L3MBTL1LMNAHTTNR1I2PGR
SCHEMBL21600544 0.82 LMNA (0.41) L3MBTL1LMNAHTTNR1I2PGR
SCHEMBL3165880 0.81 L3MBTL1 (0.41) L3MBTL1IDH1ACHEMEN1KMT2A
SCHEMBL3165886 0.81 L3MBTL1 (0.41) L3MBTL1IDH1ACHEMEN1KMT2A
SCHEMBL26300944 0.81 L3MBTL1 (0.43) L3MBTL1IDH1ACHEMEN1KMT2A
SCHEMBL3175956 0.81 ACHE (0.41) L3MBTL1IDH1ACHEMEN1KMT2A
SCHEMBL3175970 0.81 ACHE (0.41) L3MBTL1IDH1ACHEMEN1KMT2A
SCHEMBL1760744 0.80 MEN1 (0.43) L3MBTL1IDH1ACHEMEN1KMT2A

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
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 — — US disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 — — EP disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 — — US disclosed
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 — — EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 — — 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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 L3MBTL1 4881/4885LMNA 4586/4885HTT 693/4885

“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.

Send feedback