SCHEMBL4027682

SCHEMBL4027682

CC1C2(O)CC3CC(C2)CC1(O)C3

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
GRIN2D O15399 3/20 0.32
GRIN3B O60391 3/20 0.32
GRIN1 Q05586 3/20 0.32
GRIN2A Q12879 3/20 0.32
GRIN2B Q13224 3/20 0.32
GRIN2C Q14957 3/20 0.32
GRIN3A Q8TCU5 3/20 0.32
SLC22A2 O15244 1/20 0.30
SLC22A1 O15245 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
STAT6 P42226 1/20 0.30
SLC47A1 Q96FL8 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
GAA P10253 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL27652931 0.85 PKM (0.31) PKM
SCHEMBL27587044 0.72 GAA (0.31) GAA
SCHEMBL4333948 0.71 PKM (0.36) PKMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6760912 0.70 PKM (0.32) PKM
SCHEMBL678264 0.70 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26080215 0.69 PKM (0.39) PKMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30452270 0.67 PKM (0.42) PKMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3221210 0.67 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4980533 0.67 LMNA (0.33) PKMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8941059 0.67 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821589-B1 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS NITROMED INC (US) 2009-02-04 EP disclosed
US-20080275010-A1 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS NITROMED, INC. (US) 2008-11-06 US disclosed
EP-1336597-B1 Hydroxyphenyl adamantanes and process for the production of the same HONSHU CHEMICAL IND (JP) 2008-07-16 EP disclosed
US-20060276439-A1 Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NITROMED, INC. (US) 2006-12-07 US disclosed
US-20050038029-A1 Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NITROMED, INC. (US) 2005-02-17 US disclosed
US-6790864-B2 NONSTEROIDAL ANTIINFLAMMATORY DRUGS WHICH HAVE BEEN SUBSTITUTED WITH A NITROGEN MONOXIDE GROUP; COMPOSITIONS COMPRISING (I) A NONSTEROIDAL ANTIINFLAMMATORY DRUG, WHICH CAN OPTIONALLY BE SUBSTITUTED WITH A NITROGEN MONOXIDE GROUP NITROMED, INC. 2004-09-14 US disclosed
US-6720460-B2 FORMING HEAT RESISTANT, MECHANICAL STRENGTH POLYMER ADDITIVES; ACID CATALYZED REACTION OF ADAMANTANE DIOL OR TRIOL WITH PHENOLIC DERIVATIVE HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2004-04-13 US disclosed
US-20030187307-A1 Hydroxyphenyl adamantanes and process for the production of the same HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2003-10-02 US disclosed
EP-1336597-A1 Hydroxyphenyl adamantanes and process for the production of the same Honshu Chemical Industry Co., Ltd. (JP) 2003-08-20 EP disclosed
US-20030109520-A1 Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NICOX S.A. (FR) 2003-06-12 US disclosed
US-6482846-B1 Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NITROMED, INC. 2002-11-19 US disclosed
US-6323234-B1 TRANSFER OR RELEASE NITRIC OXIDE OR IS A SUBSTRATE FOR NITRIC OXIDE SYNTHASE WITH CARRIERS NITROMED, INC. 2001-11-27 US disclosed
US-6083515-A TREATING INFLAMMATION, PAIN, GASTROINTESTINAL LESIONS OR FEVER IN AN ANIMAL IN NEED THEREOF WITH REDUCTION OF THE GASTROINTESTINAL TOXICITY OR RENAL TOXICITY OF THE NONSTEROIDAL ANTIINFLAMMATORY DRUG NITROMED, INC. (US) 2000-07-04 US disclosed
US-6048858-A HETERORING CONTAINING A SULFONAMIDE GROUP NITROMED, INC. (US) 2000-04-11 US disclosed
US-6043233-A COMPOUND THAT DONATES, TRANSFERS OR RELEASES NITRIC OXIDE, ELEVATES ENDOGENOUS LEVELS OF NITRIC OXIDE, OR IS A SUBSTRATE FOR NITRIC OXIDE SYNTHASE. NITROMED, INC. (US) 2000-03-28 US disclosed
US-5703073-A Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NITROMED, INC. (US) 1997-12-30 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 (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-20050038029-A1 Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NOS2, NOS3, MB PKM 2890/4885GRIN2D 3342/4885GRIN3B 1420/4885
US-20080275010-A1 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS NOS2, NOS3, MB PKM 2890/4885GRIN2D 3342/4885GRIN3B 1420/4885
US-20030187307-A1 Hydroxyphenyl adamantanes and process for the production of the same CYP8B1, DHPS, P4HA1 PKM 1812/4885GRIN2D 2144/4885GRIN3B 1913/4885
US-20030109520-A1 Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NOS2, NOS3, MB PKM 2890/4885GRIN2D 3342/4885GRIN3B 1420/4885
US-20060276439-A1 Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NOS2, NOS3, MB PKM 2890/4885GRIN2D 3342/4885GRIN3B 1420/4885

“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.