SCHEMBL3169587

SCHEMBL3169587

O=c1ccc(C(c2ccc(F)cc2)c2ccc(F)cc2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 7/20 0.46
ALDH1A1 P00352 3/20 0.44
HTT P42858 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.35
NOTUM Q6P988 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL2478029 0.81 ALDH1A1 (0.63) AKR1B1ALDH1A1HTTL3MBTL1KMT2A
SCHEMBL1581790 0.69 ALDH1A1 (0.47) AKR1B1ALDH1A1HTTL3MBTL1KMT2A
SCHEMBL3165240 0.68 EPHX2 (0.46) ALDH1A1KMT2AMEN1GAAPOLB
SCHEMBL4122238 0.68 LMNA (0.67) AKR1B1KMT2AMEN1LMNANOTUM
SCHEMBL2489611 0.66 IDO1 (0.50) ALDH1A1GAAPOLBLMNACYP19A1
SCHEMBL7444144 0.66 ALDH1A1 (0.45) AKR1B1ALDH1A1HTTL3MBTL1KMT2A
SCHEMBL6205261 0.64 NOTUM (0.54) AKR1B1KMT2AMEN1NOTUM
SCHEMBL6206599 0.63 AKR1B1 (1.00) AKR1B1
SCHEMBL10639556 0.63 POLB (0.45) GAAPOLBCYP19A1
SCHEMBL14143389 0.63 ALDH1A1 (0.42) AKR1B1ALDH1A1HTTL3MBTL1KMT2A

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-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US 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 AKR1B1 3295/4885ALDH1A1 3727/4885HTT 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.