SCHEMBL200723

SCHEMBL200723

COc1cc(OC)cc(C(=O)C2CCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 4/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
LMNA P02545 1/20 0.51
PDE4B Q07343 1/20 0.49
PDE4D Q08499 1/20 0.49
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 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
SCHEMBL1036177 0.98 MEN1 (0.61) KDM2BKMT2AMEN1NPC1RAB9A
SCHEMBL1039910 0.98 MEN1 (0.61) KDM2BKMT2AMEN1NPC1RAB9A
SCHEMBL9136904 0.83 NPC1 (0.77) KDM2BKMT2AMEN1NPC1RAB9A
SCHEMBL18360283 0.82 KDM2B (0.62) KDM2BKMT2AMEN1NPC1RAB9A
SCHEMBL9135757 0.81 NPC1 (0.75) KDM2BKMT2AMEN1NPC1RAB9A
SCHEMBL4611341 0.81 NPC1 (0.75) KDM2BKMT2AMEN1NPC1RAB9A
SCHEMBL16106340 0.80 NPC1 (0.54) KDM2BKMT2AMEN1NPC1RAB9A
SCHEMBL5270856 0.80 MAPK1 (0.73) KDM2BKMT2AMEN1NPC1RAB9A
SCHEMBL3367257 0.79 NPC1 (0.77) KDM2BKMT2AMEN1NPC1RAB9A
SCHEMBL23734465 0.79 SIRT5 (0.58) KMT2AMEN1NPC1RAB9APDE4B

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102348674-A Leukotriene b4 inhibitors HOFFMANN LA ROCHE 2012-02-08 CN disclosed
EP-2411358-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
EP-1633733-B1 CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF UNIV TENNESSEE RES FOUNDATION (US) 2011-01-26 EP disclosed
WO-2010108856-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
WO-2010108856-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 US disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 US disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 US disclosed
US-20070167514-A1 Cannabinoid derivatives, methods of making, and use thereof UNIVERSTIY OF TENNESSEE RESEARCH FOUNDATION 2007-07-19 US disclosed
EP-1633733-A4 CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF UNIV TENNESSEE RES CORP (US) 2007-02-28 EP disclosed
US-7169942-B2 agonists or antagonists; treatment for neuroinflammatory pathologies involving demyelinization, viral encephalitis, cerebrovascular accidents, cranial trauma, ocular disorders, pulmonary disorders, allergic diseases, inflammatory conditions, immune system disorders, central nervous system diseases, etc. UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-01-30 US disclosed
EP-1633733-A1 CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2006-03-15 EP disclosed
WO-2004113320-A1 CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2004-12-29 WO disclosed
US-20040242593-A1 Cannabinoid derivatives, methods of making, and use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2004-12-02 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 (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-20100240678-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S KDM2B 2247/4885KMT2A 4432/4885MEN1 4324/4885
US-20040242593-A1 Cannabinoid derivatives, methods of making, and use thereof CNR2, CNR1, GPR18 KDM2B 2727/4885KMT2A 1891/4885MEN1 3863/4885
US-20070167514-A1 Cannabinoid derivatives, methods of making, and use thereof CNR2, CNR1, GPR18 KDM2B 2772/4885KMT2A 1922/4885MEN1 3893/4885

“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.