SCHEMBL3165178

SCHEMBL3165178

COc1cccc(CC2CCCCC2C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.50
GRM3 Q14832 1/20 0.50
ALDH1A1 P00352 2/20 0.49
EED O75530 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.47
FFAR1 O14842 2/20 0.47
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTR1A P08908 1/20 0.45
SLC6A4 P31645 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL21501042 0.85 CA1 (0.64) GRM2GRM3CA1CA2CA9
SCHEMBL17318445 0.83 CA1 (0.45) GRM2GRM3ALDH1A1CD274CA1
SCHEMBL4278427 0.83 ALDH1A1 (0.51) ALDH1A1EEDFFAR1POLBCYP1A2
SCHEMBL3159840 0.81 ALDH1A1 (0.54) ALDH1A1EEDCA1CA2CA9
SCHEMBL17318403 0.80 MMP13 (0.58) ALDH1A1KMT2ALMNAPKMHTT
SCHEMBL17318429 0.80 CTSK (0.48) ALDH1A1KMT2ALMNAPKMHTT
SCHEMBL7452648 0.80 TAAR1 (0.53) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL7452644 0.80 TAAR1 (0.53) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL7230439 0.80 TAAR1 (0.53) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL20285807 0.80 KMT2A (0.49) ALDH1A1MEN1KMT2ALMNAPKM

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 15 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
CN-1090184-C Heterocyclic compounds FUJISAWA PHARMACEUTICAL CO (JP) 2002-09-04 CN disclosed
EP-0736018-B1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2000-07-05 EP disclosed
US-6025375-A INHIBITORY ACTIVITY ON PLATELET AGGREGATION, VASODILATING ACTIVITY, ANTIHYPERTENSIVE ACTIVITY OR THE LIKE AND ARE PROSTAGLANDIN I.SUB.2 AGONISTS, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-15 US disclosed
CN-1046714-C Diaryl oxazole derivative and its preparation method, application and pharmaceutical composition FUJISAWA PHARMACEUTICAL CO (JP) 1999-11-24 CN disclosed
CN-1229795-A Heterocyclic compounds FUJISAWA PHARMACEUTICAL CO (JP) 1999-09-29 CN disclosed
CN-1138328-A Heterocyclic compounds FUJISAWA PHARMACEUTICAL CO (JP) 1996-12-18 CN disclosed
EP-0736018-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-09 EP disclosed
WO-1995017393-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-06-29 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 GRM2 349/4885GRM3 422/4885ALDH1A1 3727/4885

“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.