SCHEMBL3176752

SCHEMBL3176752

CCC(Oc1ccccc1CCCn1cc(C(c2ccccc2)c2ccccc2)ccc1=O)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.70
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
EPHX2 P34913 1/20 0.35
LTB4R Q15722 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 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
SCHEMBL3168930 0.82 PTGDR2 (1.00) PTGDR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3176262 0.81 PTGDR2 (0.67) PTGDR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL12678717 0.80 PTGDR2 (0.53) PTGDR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3174289 0.80 PTGDR2 (0.94) PTGDR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3169645 0.74 PTGDR2 (0.55) PTGDR2
SCHEMBL17949550 0.74 PTGDR2 (0.55) PTGDR2EPHX2
SCHEMBL3164822 0.74 PTGDR2 (0.72) PTGDR2PPARG
SCHEMBL3174445 0.72 PTGDR2 (1.00) PTGDR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3165304 0.72 PTGDR2 (1.00) PTGDR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3168945 0.72 PTGDR2 (1.00) PTGDR2HDAC3HDAC4HDAC1HDAC7

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 2 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

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 116/4885HDAC3 473/4885HDAC4 754/4885

“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.