SCHEMBL3277901

SCHEMBL3277901

CCCCOc1ccc(OCCCC)c(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
MAPT P10636 3/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 2/20 0.58
USP2 O75604 1/20 0.58
TP53 P04637 1/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
CASP1 P29466 1/20 0.58
HTT P42858 1/20 0.58
CASP7 P55210 1/20 0.58
ATM Q13315 1/20 0.58
TSHR P16473 2/20 0.50
PRSS1 P07477 6/20 0.46
THRB P10828 1/20 0.46
TLR8 Q9NR97 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
SCHEMBL8417912 0.92 MAPT (0.68) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL14038429 0.89 ALDH1A1 (0.61) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL8397383 0.85 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL29761215 0.85 KDM4E (0.79) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL10876363 0.85 KDM4E (0.79) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL10490578 0.84 MEN1 (0.56) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL11077676 0.84 THRB (0.56) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL4612653 0.84 TSHR (0.56) CYP1A2CYP2C9MAPTALDH1A1TSHR
SCHEMBL11655575 0.84 TSHR (0.53) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL30646245 0.84 TSHR (0.53) CYP1A2CYP2C9CYP2C19MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 US disclosed
US-20060111409-A1 Medicament for treatment of diabetes INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-25 US disclosed
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-11 US disclosed
US-20060089395-A1 Nf-kb activation inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-04-27 US disclosed
EP-0833203-B1 Anthraquinone compounds NIPPON CATALYTIC CHEM IND (JP) 2004-06-16 EP disclosed
US-5968688-A RESINS AND DYES FOR COLOR FILTERS NIPPON SHOKUBAI CO., LTD. (JP) 1999-10-19 US disclosed
EP-0611811-B1 RECORDING FLUID MITSUBISHI CHEM IND (JP) 1999-09-01 EP disclosed
EP-0844288-A2 Recording liquid MITSUBISHI KASEI CORPORATION (JP) 1998-05-27 EP disclosed
EP-0844289-A2 Recording liquid MITSUBISHI KASEI CORPORATION (JP) 1998-05-27 EP disclosed
EP-0833203-A1 Color filter grade photosensitive resin coloring composition, and color filter using the same NIPPON SHOKUBAI CO., LTD. (JP) 1998-04-01 EP disclosed
US-5478384-A Recording liquid MITSUBISHI KASEI CORPORATION (JP) 1995-12-26 US disclosed
EP-0611811-A1 RECORDING FLUID MITSUBISHI KASEI CORPORATION (JP) 1994-08-24 EP disclosed
US-5278213-A Low viscosity solution ALLIED SIGNAL INC. (US) 1994-01-11 US disclosed
EP-0056475-A2 Pharmaceutical compositions MERCK PATENT GmbH (DE) 1982-07-28 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 (9 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-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA CYP1A2 3812/4885CYP2C9 4462/4885CYP2C19 4659/4885
US-20060111409-A1 Medicament for treatment of diabetes XDH, SLC5A1, SLC5A2 CYP1A2 1040/4885CYP2C9 3031/4885CYP2C19 2879/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 CYP1A2 631/4885CYP2C9 2244/4885CYP2C19 1303/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT CYP1A2 696/4885CYP2C9 2245/4885CYP2C19 1187/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA CYP1A2 2043/4885CYP2C9 3673/4885CYP2C19 3948/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 CYP1A2 3409/4885CYP2C9 4580/4885CYP2C19 4710/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR CYP1A2 576/4885CYP2C9 1934/4885CYP2C19 1222/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR CYP1A2 589/4885CYP2C9 1984/4885CYP2C19 1171/4885
US-20060089395-A1 Nf-kb activation inhibitors NFKBIA, IKBKB, NFRKB CYP1A2 3089/4885CYP2C9 3863/4885CYP2C19 4557/4885

“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.