SCHEMBL3159332

SCHEMBL3159332

OCCCc1ccccc1OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.69
DRD2 P14416 4/20 0.69
PTGER1 P34995 2/20 0.62
PTGER4 P35408 2/20 0.62
PTGER3 P43115 2/20 0.62
PTGER2 P43116 2/20 0.62
MGLL Q99685 1/20 0.58
LTA4H P09960 1/20 0.58
EPHX2 P34913 1/20 0.58
ABCB1 P08183 7/20 0.58
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
THRB P10828 1/20 0.51

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
SCHEMBL31561714 1.00 HTR1A (0.69) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL10683333 0.95 HTR1A (0.67) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL3268053 0.89 HTR1A (0.73) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL17197391 0.89 HTR1A (0.79) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL9057460 0.86 HTR1A (0.79) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL8409019 0.85 PTGER1 (0.54) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL9277698 0.84 HTR1A (0.71) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL18003392 0.84 PTPRC (0.52) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL27335815 0.83 HTR1A (0.65) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL4953923 0.83 LTA4H (0.63) HTR1ADRD2PTGER1PTGER4PTGER3

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 28 patents — showing the first 20. 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
WO-2012075277-A2 SYNTHETIC METHODS NOVOMER, INC. (US) 2012-06-07 WO disclosed
WO-2012075277-A2 SYNTHETIC METHODS NOVOMER, INC. (US) 2012-06-07 WO 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
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
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
US-4835192-A Pharmacologically active 4-[2-hydroxy-4-(substituted)phenyl]naphthalen-2(1H)-ones and 2-ols, derivatives thereof and intermediates therefor PFIZER INC. (US) 1989-05-30 US disclosed
US-4739079-A ANALGESICS, ANTIDIARRHEA, ANTIEMETIC AGENTS PFIZER INC. (US) 1988-04-19 US disclosed
US-4593131-A Pharmacologically active 4-[2-hydroxy-4-(substituted)phenyl]naphthalen-2(1H)-ones and 2-ols, derivatives thereof and intermediates therefor PFIZER INC. (US) 1986-06-03 US disclosed
US-4486609-A ANALGESICS PFIZER INC. (US) 1984-12-04 US disclosed
EP-0049953-B1 4-(SUBSTITUTED PHENYL)-NAPHTHALEN-2(1H)-ONES AND 2-OLS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER INC. (US) 1984-05-16 EP disclosed
EP-0079168-A1 Process for making 1-(3-benzyloxyphenyl)-1,1-dimethylheptane and intermediates therefor PFIZER INC. (US) 1983-05-18 EP disclosed
US-4360700-A Intermediates for making 1-(3-benzyloxyphenyl)-1,1-dimethylheptane PFIZER INC. (US) 1982-11-23 US disclosed
US-4331602-A CNS AGENTS, ANTIEMETICS, ANTIDIARRHEA PFIZER INC. (US) 1982-05-25 US disclosed
EP-0049953-A2 4-(Substituted phenyl)-naphthalen-2(1H)-ones and 2-ols, processes for their preparation, and pharmaceutical compositions containing them PFIZER INC. (US) 1982-04-21 EP disclosed
US-4285867-A ANTIDIARRHEA AGENTS, ANTIEMETICS, ANALGESICS PFIZER INC. (US) 1981-08-25 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 HTR1A 2025/4885DRD2 621/4885PTGER1 236/4885

“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.