SCHEMBL4027679

SCHEMBL4027679

OC(O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 2/20 0.48
SLC47A1 Q96FL8 2/20 0.48
MAPT P10636 1/20 0.46
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX2 P34913 4/20 0.38
LMNA P02545 2/20 0.38
SLC22A1 O15245 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
STAT6 P42226 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38

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
SCHEMBL27514830 0.77 SLC22A2 (0.44) SLC22A2SLC47A1MAPTMEN1KMT2A
SCHEMBL182779 0.77 SLC22A2 (0.56) SLC22A2SLC47A1MAPTMEN1KMT2A
SCHEMBL14306348 0.77 SLC22A2 (0.44) SLC22A2SLC47A1MAPTMEN1KMT2A
SCHEMBL30358180 0.75 PKM (0.48) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25492074 0.73 MAPT (0.57) SLC22A2SLC47A1MAPTMEN1KMT2A
SCHEMBL16190050 0.73 GRIN2D (0.35) SLC22A2SLC47A1MAPTMEN1KMT2A
SCHEMBL5711911 0.73 SLC22A2 (0.46) SLC22A2SLC47A1MAPTMEN1KMT2A
SCHEMBL19758138 0.73 SMN1; SMN2 (0.53) SLC22A2SLC47A1MAPTMEN1KMT2A
SCHEMBL2961008 0.73 SMN1; SMN2 (0.53) SLC22A2SLC47A1MAPTMEN1KMT2A
SCHEMBL20042206 0.73 SMN1; SMN2 (0.53) SLC22A2SLC47A1MAPTMEN1KMT2A

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
US-20170174801-A1 NON-CHEMICAL AMPLIFICATION TYPE RESIST COMPOSITION, NON-CHEMICAL AMPLIFICATION TYPE RESIST FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2017-06-22 US disclosed
CN-102276468-A Resin containing adamantanes, preparation method and application of resin 2011-12-14 CN disclosed
US-7488847-B2 Fluorinated adamantane and its derivatives ASAHI GLASS COMPANY, LIMITED (JP) 2009-02-10 US disclosed
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
US-20060276439-A1 Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NITROMED, INC. (US) 2006-12-07 US disclosed
US-20050288528-A1 Fluorinated adamantane and its derivatives ASAHI GLASS COMPANY LIMITED (JP) 2005-12-29 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-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 SLC22A2 1467/4885SLC47A1 556/4885MAPT 2227/4885
US-20080275010-A1 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS NOS2, NOS3, MB SLC22A2 1467/4885SLC47A1 556/4885MAPT 2227/4885
US-20050288528-A1 Fluorinated adamantane and its derivatives ADH1A, AFF1, ADH5 SLC22A2 2201/4885SLC47A1 3138/4885MAPT 2444/4885
US-20030109520-A1 Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NOS2, NOS3, MB SLC22A2 1467/4885SLC47A1 556/4885MAPT 2227/4885
US-20060276439-A1 Compositions and methods to prevent toxicity induced by nonsteroidal antiinflammatory drugs NOS2, NOS3, MB SLC22A2 1467/4885SLC47A1 556/4885MAPT 2227/4885

“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.