SCHEMBL3873936

SCHEMBL3873936

CCOC(=O)C1Cc2cc(OC)c(OC)cc2C(c2ccccc2)N1C(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
XBP1 P17861 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TSHR P16473 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ACE P12821 2/20 0.41
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL27542552 0.90 ALDH1A1 (0.46) ALDH1A1LMNAHTTNPC1MITF
SCHEMBL3880746 0.76 ALDH1A1 (0.45) ALDH1A1LMNAHTTNPC1MITF
SCHEMBL3880751 0.72 TRPV1 (0.43) ALDH1A1LMNAHTTNPC1MITF
SCHEMBL17614901 0.72 MEN1 (0.51) ALDH1A1LMNAKMT2AMEN1TSHR
SCHEMBL3880749 0.69 ALDH1A1 (0.43) ALDH1A1LMNAHTTNPC1MITF
SCHEMBL8870137 0.69 SIGMAR1 (0.50) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL8870127 0.69 SIGMAR1 (0.50) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL11715544 0.68 TRPV1 (0.56) ALDH1A1LMNAHTTNPC1MITF
SCHEMBL3872824 0.67 KMT2A (0.48) ALDH1A1LMNAHTTNPC1MITF
SCHEMBL8870406 0.67 ACE (0.53) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550475-B2 Condensed polycyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-23 US disclosed
US-7550476-B2 Condensed polycyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-23 US disclosed
US-7550464-B2 Use of phosphodiesterase 4 inhibitors such as 8,9-dimethoxy-6-phenyl-1,3,4,6,11,11a-hexahydro-2H -pyrazino[1,2-b]isoquinoline for treating asthma, chronic obstructive pulmonary disease, atopic dermatitis, allergic rhinitis, psoriasis, rheumatoid arthritis, septic shock, ulcerative colitis MITSUBISHI TANBE PHARMA CORPORATION (JP) 2009-06-23 US disclosed
EP-1424326-B1 FUSED-POLYCYCLIC COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-05-28 EP disclosed
CN-1331857-C Fused-polycyclic compounds TANABE SEIYAKU CO (JP) 2007-08-15 CN disclosed
US-20070010521-A1 Condensed polycyclic compounds TANABE SEIYAKU CO., LTD. 2007-01-11 US disclosed
US-20070004739-A1 Condensed polycyclic compounds TANABE SEIYAKU CO., LTD. 2007-01-04 US disclosed
US-20070004740-A1 Condensed polycyclic compounds TANABE SEIYAKU CO., LTD. 2007-01-04 US disclosed
US-7153859-B2 Condensed polycyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2006-12-26 US disclosed
CN-1266134-C Fused polycyclic compound TANABE SEIYAKU CO (JP) 2006-07-26 CN disclosed
CN-1743312-A Fused-polycyclic compounds TANABE SEIYAKU CO (JP) 2006-03-08 CN disclosed
CN-1538959-A Fused polycyclic compound ������ҩ��ʽ���� 2004-10-20 CN disclosed
US-20040204418-A1 Fused-polycyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2004-10-14 US disclosed
EP-1424326-A1 FUSED-POLYCYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2004-06-02 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 (4 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-20070004740-A1 Condensed polycyclic compounds PDE4A, PDE4B, PDE3B ALDH1A1 1111/4885LMNA 2626/4885HTT 4284/4885
US-20070010521-A1 Condensed polycyclic compounds PDE4A, PDE4B, PDE3B ALDH1A1 1111/4885LMNA 2626/4885HTT 4284/4885
US-20070004739-A1 Condensed polycyclic compounds PDE4A, PDE4B, PDE3B ALDH1A1 1111/4885LMNA 2626/4885HTT 4284/4885
US-20040204418-A1 Fused-polycyclic compounds PDE4A, PDE4B, PDE3B ALDH1A1 560/4885LMNA 3050/4885HTT 4451/4885

“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.