SCHEMBL2108042

SCHEMBL2108042

[CH2]COCc1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
RAB9A P51151 1/20 0.47
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
HTR7 P34969 1/20 0.46
HTR3A P46098 1/20 0.46
HTR4 Q13639 1/20 0.46
TACR1 P25103 2/20 0.44
ALOX5 P09917 2/20 0.44
KCNH2 Q12809 2/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43

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
SCHEMBL433146 0.87 CYP1A2 (0.58) CYP1A2CYP2A6RAB9ASLC6A2SLC6A4
SCHEMBL7627282 0.86 CYP1A2 (0.48) CYP1A2CYP2A6RAB9ASLC6A2SLC6A4
SCHEMBL7624591 0.83 GBA1 (0.47) CYP1A2CYP2A6RAB9ASLC6A2SLC6A4
SCHEMBL7622461 0.82 GBA1 (0.49) CYP1A2CYP2A6RAB9ASLC6A2SLC6A4
SCHEMBL7648436 0.82 TSHR (0.62) CYP1A2CYP2A6RAB9ASLC6A2SLC6A4
SCHEMBL16174483 0.82 CYP1A2 (0.52) CYP1A2CYP2A6RAB9ASLC6A2SLC6A4
SCHEMBL6001710 0.81 CYP1A2 (0.47) CYP1A2CYP2A6SLC6A4HTR2AHTR2C
SCHEMBL7622737 0.80 GBA1 (0.51) CYP1A2CYP2A6RAB9ASLC6A2SLC6A4
SCHEMBL19249099 0.80 CYP1A2 (0.50) CYP1A2CYP2A6RAB9ASLC6A2SLC6A4
SCHEMBL19249093 0.80 CYP1A2 (0.50) CYP1A2CYP2A6RAB9ASLC6A2SLC6A4

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158362-B2 Methods of diagnosing susceptibility to myocardial infarction and screening for an LTA4H haplotype DECODE GENETICS EHF. (IS) 2012-04-17 US disclosed
US-7851486-B2 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment DECODE GENETICS EHF. (IS) 2010-12-14 US disclosed
US-20100216863-A1 Susceptibility Gene for Myocardial Infarction, Stroke, and PAOD; Methods of Treatment DECODE GENETICS EHF. (IS) 2010-08-26 US disclosed
US-20080293750-A1 Susceptibility Gene for Myocardial Infarction, Stroke, Paod and Methods of Treatment DECODE GENETICS EHF. (IS) 2008-11-27 US disclosed
WO-2008012546-A2 AZAPEPTIDES FOR USE IN THERAPY AGAINST INTERSTITIAL CYSTITIS SOSEI CO. LTD. (JP) 2008-01-31 WO disclosed
EP-1871908-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFARCTION, STROKE AND PAOD; METHODS OF TREATMENT Decode Genetics EHF. (IS) 2008-01-02 EP disclosed
US-20070280917-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment DECODE GENETICS, INC. (IS) 2007-12-06 US disclosed
WO-2007020403-A1 AZAPEPTIDES FOR TREATING HYPERALGESIC PAIN CONDITIONS SOSEI CO., LTD (GB) 2007-02-22 WO disclosed
EP-1718284-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFRACTION, STROKE, AND PAOD; METHODS OF TREATMENT Decode Genetics EHF. (IS) 2006-11-08 EP disclosed
WO-2006105439-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFARCTION, STROKE. AND PAOD; METHODS OF TREATMENT DECODE GENETICS EHF. (IS) 2006-10-05 WO disclosed
EP-0540673-A4 1994-04-27 EP disclosed
US-5288751-A [(Substituted) phenyalkyl]furylalkynyl-and [substituted) phenyalkyl] thienylalkynyl-N-hydroxyurea inhibitors or leukotriene biosynthesis ABBOTT LABORATORIES (US) 1994-02-22 US disclosed
US-5288743-A Lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1994-02-22 US disclosed
US-5250565-A Must incorporate a metabolically cleavable leaving group; pro-drugs; administering to mammals ABBOTT LABORATORIES (US) 1993-10-05 US disclosed
EP-0540673-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY. ABBOTT LAB (US) 1993-05-12 EP disclosed
WO-1993003719-A1 ARYLALKYLETHER AND ARYLALKYLTHIOETHER INHIBITORS OF LIPOXYGENASE ENZYME ACTIVITY ABBOTT LABORATORIES (US) 1993-03-04 WO disclosed
US-5187192-A Amide derivatives as antiinflammatory or antiallergy agents ABBOTT LABORATORIES (US) 1993-02-16 US disclosed
US-5183818-A Also for inhibiting leukotriene biosynthesis ABBOTT LABORATORIES (US) 1993-02-02 US disclosed
WO-1992001682-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1992-02-06 WO disclosed
EP-0416609-A2 Benzo[b]thiophene-containing lipoxygenase-inhibiting compounds ABBOTT LABORATORIES (US) 1991-03-13 EP 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 (3 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-20100216863-A1 Susceptibility Gene for Myocardial Infarction, Stroke, and PAOD; Methods of Treatment ALOX15B, ALOX15, ALOX5 CYP1A2 1450/4885CYP2A6 1747/4885RAB9A 1992/4885
US-20070280917-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment ALOX15B, ALOX15, ALOX5 CYP1A2 1450/4885CYP2A6 1747/4885RAB9A 1992/4885
US-20080293750-A1 Susceptibility Gene for Myocardial Infarction, Stroke, Paod and Methods of Treatment PLAAT3, PLAAT2, PLA2G7 CYP1A2 1358/4885CYP2A6 2679/4885RAB9A 3102/4885

“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.