SCHEMBL3175120

SCHEMBL3175120

O=c1ccc(C(c2ccccc2)c2ccccc2)cn1CCCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.55
TSHR P16473 1/20 0.39
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
FRK P42685 1/20 0.35
MAPK9 P45984 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
GSK3B P49841 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
MAP4K5 Q9Y4K4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KDR P35968 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
LMNA P02545 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
SCHEMBL3165853 0.91 PTGDR2 (0.55) PTGDR2EPHX2ALDH1A1KDM4EHDAC1
SCHEMBL17949550 0.85 PTGDR2 (0.55) PTGDR2EPHX2ALDH1A1HPGDKDM4E
SCHEMBL3165962 0.81 PTGDR2 (0.52) PTGDR2EPHX2KDM4EHDAC1HDAC8
SCHEMBL16493911 0.81 PTGDR2 (0.52) PTGDR2EPHX2ALDH1A1KDM4EHSD17B10
SCHEMBL3174285 0.81 PTGDR2 (0.52) PTGDR2EPHX2ALDH1A1GSK3BKDM4E
SCHEMBL23126476 0.81 PTGDR2 (0.51) PTGDR2EPHX2KDM4E
Hydrochloric Acid SCHEMBL3159525 0.80 PTGDR2 (0.51) PTGDR2EPHX2KDM4EHDAC1HDAC8
SCHEMBL3164878 0.78 PTGDR2 (0.53) PTGDR2EPHX2KDM4EHDAC1HDAC8
SCHEMBL27771722 0.78 PTGDR2 (0.55) PTGDR2ALDH1A1KDM4EHDAC1HDAC8
SCHEMBL20307213 0.78 PTGDR2 (0.49) PTGDR2EPHX2KDM4E

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 3 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

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 116/4885TSHR 1682/4885EPHX2 2100/4885

“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.