SCHEMBL3174285

SCHEMBL3174285

O=c1ccc(C(c2ccccc2)c2ccccc2)cn1CCCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.52
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
HIF1A Q16665 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
GMNN O75496 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35

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
SCHEMBL3165962 0.84 PTGDR2 (0.52) PTGDR2HDAC1HDAC8HDAC6EPHX2
SCHEMBL3165853 0.84 PTGDR2 (0.55) PTGDR2HDAC1HDAC8HDAC6MAPT
SCHEMBL16493911 0.84 PTGDR2 (0.52) PTGDR2MAPTALDH1A1EPHX2KDM4E
Hydrochloric Acid SCHEMBL3159525 0.83 PTGDR2 (0.51) PTGDR2HDAC1HDAC8HDAC6EPHX2
SCHEMBL3175120 0.81 PTGDR2 (0.55) PTGDR2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL17949550 0.81 PTGDR2 (0.55) PTGDR2MEN1ALDH1A1KMT2AEPHX2
SCHEMBL3159412 0.79 PTGDR2 (0.48) PTGDR2HDAC1MAPTALDH1A1
SCHEMBL23126476 0.78 PTGDR2 (0.51) PTGDR2MAPTEPHX2KDM4EBRD4
SCHEMBL3164878 0.78 PTGDR2 (0.53) PTGDR2HDAC1HDAC8HDAC6MAPT
SCHEMBL27771722 0.77 PTGDR2 (0.55) PTGDR2HDAC1HDAC8HDAC6MAPT

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
CN-102442941-A Polycyclic acid compounds useful as crth2 antagonists and antiallergic agents ASTELLAS PHARMA INC 2012-05-09 CN disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 EP disclosed
CN-101636386-A Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC 2010-01-27 CN disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 PTGDR2 116/4885HDAC1 306/4885HDAC8 391/4885

“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.