SCHEMBL6873641

SCHEMBL6873641

COc1ccc(C)cc1OC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.60
ACHE P22303 1/20 0.59
PDE4B Q07343 12/20 0.56
PDE4D Q08499 11/20 0.56
PDE4C Q08493 10/20 0.56
PDE5A O76074 2/20 0.55
PDE1A P54750 2/20 0.55
PDE1B Q01064 2/20 0.55
PDE1C Q14123 2/20 0.55
POLB P06746 1/20 0.54
CYP3A4 P08684 2/20 0.51
VEGFA P15692 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
CREBBP Q92793 1/20 0.51
MAPK14 Q16539 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
SCHEMBL2907378 0.93 ACHE (0.59) PDE4AACHEPDE4BPDE4DPDE4C
SCHEMBL10196687 0.91 ACHE (0.57) PDE4AACHEPDE4BPDE4DPDE4C
SCHEMBL16440160 0.89 ACHE (0.59) PDE4AACHEPDE4BPDE4DPDE4C
SCHEMBL15280209 0.85 ACHE (0.63) PDE4AACHEPDE4BPDE4DPDE4C
SCHEMBL12409078 0.85 PDE4B (0.56) PDE4AACHEPDE4BPDE4DPDE4C
SCHEMBL5823060 0.84 PDE4A (0.77) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL1157478 0.83 POLB (0.59) PDE4APDE4BPDE4DPDE4CPDE5A
SCHEMBL27521810 0.82 PDE4A (0.60) PDE4APDE4BPDE4DPDE4CPDE5A
SCHEMBL12908030 0.82 CSNK2A1 (0.59) PDE4APDE4BPDE4DPDE4CPDE5A
SCHEMBL12794525 0.81 ADRB2 (0.48) PDE4AACHEPDE4BPDE4DPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1537018-A Therapeutic compositions for repairing chondropathy 田边制药株式会社 2004-10-13 CN claimed
CN-1520313-A Compsns. for promoting healing of bone racture ������ҩ��ʽ���� 2004-08-11 CN claimed
EP-3885343-A1 INDOLE COMPOUNDS AS EZH2 INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-09-29 EP disclosed
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2020-02-18 US disclosed
US-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2019-04-02 US disclosed
US-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-03 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
EP-2604260-B1 NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME SHIONOGI & CO (JP) 2017-05-10 EP disclosed
EP-2443123-B1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) RIGEL PHARMACEUTICALS INC (US) 2017-04-05 EP disclosed
WO-2016201370-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-12-15 WO disclosed
US-20070259874-A1 Phosphodiesterase Inhibitors RANBAXY LABORATORIES LIMITED (IN) 2007-11-08 US disclosed
US-20070259874-A1 Phosphodiesterase Inhibitors RANBAXY LABORATORIES LIMITED (IN) 2007-11-08 US disclosed
WO-2007107352-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2007-09-27 WO disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 US disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 US disclosed
WO-2007025307-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-01 WO disclosed
WO-2005051931-A2 PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2005-06-09 WO disclosed
CN-1350453-A Method for treating exercise induced asthma SMITHKLINE BEECHAM CORP (US) 2002-05-22 CN 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 (8 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-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) BCL6, BCL6B, EZH2 PDE4A 3748/4885ACHE 4661/4885PDE4B 3710/4885
US-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 PDE4A 495/4885ACHE 19/4885PDE4B 667/4885
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same CNR1, CNR2, OPRD1 PDE4A 2781/4885ACHE 2230/4885PDE4B 2011/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 PDE4A 1445/4885ACHE 2639/4885PDE4B 2357/4885
US-20070259874-A1 Phosphodiesterase Inhibitors PDE4A, PDE3B, PDE7A PDE4A 1/4885ACHE 235/4885PDE4B 4/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 PDE4A 2071/4885ACHE 4247/4885PDE4B 2243/4885
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 PDE4A 495/4885ACHE 19/4885PDE4B 667/4885
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF BRDT, BRD4, BAZ2A PDE4A 1773/4885ACHE 3258/4885PDE4B 1856/4885

“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.