SCHEMBL2392317

SCHEMBL2392317

OCSc1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 2/20 0.44
MMP3 P08254 1/20 0.44
BCL2L1 Q07817 1/20 0.44
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
FFAR1 O14842 1/20 0.41
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
ABCC4 O15439 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
HAO1 Q9UJM8 1/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
CDC25C P30307 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39

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
SCHEMBL96047 0.85
SCHEMBL4533395 0.76 PTGS2 (0.46) ALDH1A1MAPK1HDAC1HDAC2MAPT
SCHEMBL16893842 0.76 ALDH1A1 (0.44) ALDH1A1MAPK1MMP3BCL2L1HDAC1
SCHEMBL28543780 0.76 ALDH1A1 (0.44) ALDH1A1MAPK1MMP3BCL2L1HDAC1
SCHEMBL7046401 0.76 FFAR1 (0.76) ALDH1A1FFAR1HTTLMNAGAA
SCHEMBL6076179 0.74 MAOA (0.60) ALDH1A1HAO1L3MBTL1TAAR1HSD17B10
Acetic Acid SCHEMBL6766127 0.74 FFAR1 (0.56) ALDH1A1MAPK1FFAR1HTTTSHR
SCHEMBL16167237 0.73 ALDH1A1 (0.52) ALDH1A1MAPK1MMP3BCL2L1HDAC1
SCHEMBL12432111 0.73 ALDH1A1 (0.52) ALDH1A1MAPK1HDAC1HDAC2LMNA
Biphenyl SCHEMBL23270852 0.73 ALDH1A1 (0.69) ALDH1A1MAPK1MMP3BCL2L1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110209699-A1 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A LIPOXYGENASE INHIBITOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS, LLC 2011-09-01 US disclosed
EP-1954320-A2 COMPOSITIONS COMPRISING LIPOXYGENASE INHIBITORS AND CYCLODEXTRIN Baxter International Inc. (US) 2008-08-13 EP disclosed
EP-1954245-A2 COMPOSITIONS OF LIPOXYGENASE INHIBITORS Baxter International Inc. (US) 2008-08-13 EP disclosed
US-20070134341-A1 COMPOSITIONS OF LIPOXYGENASE INHIBITORS BAXTER INTERNATIONAL INC. 2007-06-14 US disclosed
WO-2007059515-A2 COMPOSITIONS OF LIPOXYGENASE INHIBITORS BAXTER INTERNATIONAL, INC. (US) 2007-05-24 WO disclosed
WO-2007059507-A2 COMPOSITIONS COMPRISING LIPOXYGENASE INHIBITORS AND CYCLODEXTRIN BAXTER INTERNATIONAL, INC. (US) 2007-05-24 WO disclosed
US-20070111965-A1 COMPOSITIONS COMPRISING LIPOXYGENASE INHIBITORS AND CYCLODEXTRIN BAXTER HEALTHCARE S.A. (CH) 2007-05-17 US disclosed
US-20050090455-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a lipoxygenase inhibitor for treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACEUTICALS, LLC. 2005-04-28 US disclosed
US-20050043282-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a lipoxygenase inhibitor for treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACEUTICALS LLC 2005-02-24 US disclosed
WO-2005011613-A2 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A LIPOXYGENASE INHIBITOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS LLC (US) 2005-02-10 WO disclosed
EP-0388429-A1 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-09-26 EP disclosed
WO-1989012636-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1989-12-28 WO disclosed
EP-0346939-A1 Tricyclic lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-12-20 EP disclosed
US-4873259-A Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-10-10 US disclosed
EP-0320628-A1 Substituted furan compounds which are useful in inhibiting lipoxygenase enzymes, particularly 5-lipoxygenase ABBOTT LABORATORIES (US) 1989-06-21 EP disclosed
WO-1989004299-A1 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1989-05-18 WO disclosed
US-4822811-A Carbazole lipoxygenase inhibiting compounds, compositions and use ABBOTT LABORATORIES (US) 1989-04-18 US disclosed
US-4822809-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1989-04-18 US disclosed
US-4769387-A Dibenzofuran lipoxygenase inhibiting compounds, compositions and use ABBOTT LABORATORIES (US) 1988-09-06 US disclosed
EP-0279263-A2 Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1988-08-24 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 (5 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-20070111965-A1 COMPOSITIONS COMPRISING LIPOXYGENASE INHIBITORS AND CYCLODEXTRIN ALOX15B, ALOX12, ALOX15 ALDH1A1 1507/4885MAPK1 2813/4885MMP3 3031/4885
US-20050090455-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a lipoxygenase inhibitor for treatment of asthma or chronic obstructive pulmonary disease HSD11B2, CYP17A1, ALOX5 ALDH1A1 273/4885MAPK1 1452/4885MMP3 280/4885
US-20050043282-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a lipoxygenase inhibitor for treatment of asthma or chronic obstructive pulmonary disease HSD11B2, CYP17A1, ALOX5 ALDH1A1 257/4885MAPK1 1457/4885MMP3 267/4885
US-20070134341-A1 COMPOSITIONS OF LIPOXYGENASE INHIBITORS ALOX5, ALOX15B, ALOX15 ALDH1A1 1825/4885MAPK1 3865/4885MMP3 1035/4885
US-20110209699-A1 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A LIPOXYGENASE INHIBITOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE HSD11B2, CYP17A1, ALOX5 ALDH1A1 273/4885MAPK1 1452/4885MMP3 280/4885

“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.