SCHEMBL3159840

SCHEMBL3159840

COc1cccc(CC2CCCCC2CO)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
EED O75530 2/20 0.52
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
HTR1A P08908 1/20 0.46
SLC6A4 P31645 1/20 0.46
HRH3 Q9Y5N1 3/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
POLB P06746 1/20 0.44
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL27617425 0.84 ALDH1A1 (0.52) ALDH1A1EEDLMNAPKMHTT
SCHEMBL27617581 0.83 ALDH1A1 (0.55) ALDH1A1EEDLMNAPKMHTT
SCHEMBL4278427 0.82 ALDH1A1 (0.51) ALDH1A1EEDLMNAPKMHTT
SCHEMBL27617429 0.82 ALDH1A1 (0.54) ALDH1A1EEDLMNAPKMHTT
SCHEMBL27792902 0.82 ALDH1A1 (0.54) ALDH1A1EEDLMNAPKMHTT
SCHEMBL3166247 0.81 EED (0.49) ALDH1A1EEDLMNAPKMHTT
SCHEMBL3165178 0.81 GRM2 (0.50) ALDH1A1EEDLMNAPKMHTT
SCHEMBL3176242 0.80 PPARA (0.48) LMNA
SCHEMBL25698257 0.80 EED (0.71) ALDH1A1EEDLMNAPKMHTT
SCHEMBL7896137 0.79 EED (0.52) ALDH1A1EEDLMNAPKMHTT

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 7 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
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 ALDH1A1 3727/4885EED 1836/4885LMNA 4586/4885

“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.