SCHEMBL3169378

SCHEMBL3169378

O=c1ccc(-c2ccccc2Oc2ccccc2)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
LMNA P02545 2/20 0.43
BRD4 O60885 12/20 0.43
PDE4B Q07343 2/20 0.42
PDE3A Q14432 1/20 0.42
PTGS2 P35354 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL10354174 0.79 CYP1A2 (0.67) CYP1A2LMNAPDE4BPDE3APDE4A
SCHEMBL11146636 0.78 CYP1A2 (0.71) CYP1A2LMNAPDE4BPDE3APDE4A
SCHEMBL11658399 0.76 CYP1A2 (0.46) CYP1A2LMNAPDE4BPTGS2PDE4A
SCHEMBL25125813 0.76 LMNA (0.46) LMNABRD4PTGS2KMT2AFFAR4
SCHEMBL17380968 0.75 NCOA1 (0.45) CYP1A2BRD4PTGS2FFAR4
SCHEMBL25125962 0.75 NPC1 (0.55) LMNABRD4PTGS2MEN1KMT2A
SCHEMBL3159466 0.74 CYP1A2 (0.65) CYP1A2LMNAPDE4BPDE3APDE4A
SCHEMBL1009470 0.73 CYP1A2 (0.48) CYP1A2LMNAMEN1KMT2A
SCHEMBL25126455 0.73 BRD4 (0.38) LMNABRD4PTGS2KMT2AFFAR4
SCHEMBL21995641 0.73 HPGDS (0.61) CYP1A2LMNAPDE4BPDE3APDE4A

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 CYP1A2 3742/4885LMNA 4586/4885BRD4 699/4885

“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.