SCHEMBL1127030

SCHEMBL1127030

CCOC(=O)C(C#N)=CC(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.59
ALDH1A1 P00352 6/20 0.53
TSHR P16473 1/20 0.53
MIF P14174 1/20 0.50
MAPT P10636 5/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTP4A1 Q93096 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
USP2 O75604 2/20 0.46
GAA P10253 2/20 0.46
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL1127029 1.00 CYP2C9 (0.59) CYP2C9ALDH1A1TSHRMIFMAPT
SCHEMBL23835988 1.00 CYP2C9 (0.59) CYP2C9ALDH1A1TSHRMIFMAPT
SCHEMBL12674556 0.87 CYP2C9 (0.57) CYP2C9ALDH1A1TSHRMIFMAPT
SCHEMBL23836013 0.86 CYP2C9 (0.44) CYP2C9ALDH1A1TSHRMIFMAPT
SCHEMBL27511755 0.83 TP53 (0.44) CYP2C9ALDH1A1TSHRMIFMAPT
SCHEMBL5554979 0.82 CYP2C9 (0.40) CYP2C9ALDH1A1TSHRMIFMAPT
SCHEMBL4906704 0.82 CYP2C9 (0.69) CYP2C9ALDH1A1TSHRMIFMAPT
SCHEMBL4961560 0.82 CYP2C9 (0.69) CYP2C9ALDH1A1TSHRMIFMAPT
SCHEMBL2755215 0.82 CYP2C9 (0.69) CYP2C9ALDH1A1TSHRMIFMAPT
SCHEMBL16159975 0.81 KDM4E (0.49) CYP2C9ALDH1A1TSHRMIFMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9752049-B2 Optically transparent, superhydrophobic, biocompatible thin film coatings and methods for producing same UT-BATTELLE, LLC (US) 2017-09-05 US claimed
US-20150232690-A1 OPTICALLY TRANSPARENT, SUPERHYDROPHOBIC, BIOCOMPATIBLE THIN FILM COATINGS AND METHODS FOR PRODUCING SAME UT-BATTELLE, LLC (US) 2015-08-20 US claimed
EP-1360257-B1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS LOCTITE R & D LTD (IE) 2007-07-25 EP claimed
US-6977278-B1 Cyanoacrylate compositions curable to flexible polymeric materials LOCTITE (R&D) LTD. (IE) 2005-12-20 US claimed
WO-2004024467-A2 SURFACE-MOUNTING SYSTEM LOCTITE (R & D) LIMITED (IE) 2004-03-25 WO claimed
EP-1360257-A1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS Loctite (R & D) Limited (IE) 2003-11-12 EP claimed
WO-2002053666-A1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS LOCTITE (R & D) LIMITED (IE) 2002-07-11 WO claimed
EP-3947586-A1 FLEXIBLE PHOTOCURABLE CYANOACRYLATE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2022-02-09 EP disclosed
US-20220033544-A1 FLEXIBLE PHOTOCURABLE CYANOACRYLATE COMPOSITIONS HENKEL AG & CO. KGAA (DE) 2022-02-03 US disclosed
WO-2020206405-A1 FLEXIBLE PHOTOCURABLE CYANOACRYLATE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2020-10-08 WO disclosed
EP-2999689-B1 CYANOACRYLATE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2017-10-04 EP disclosed
US-9752049-B2 Optically transparent, superhydrophobic, biocompatible thin film coatings and methods for producing same UT-BATTELLE, LLC (US) 2017-09-05 US disclosed
CN-106518660-A Preparation method of alpha-ketoleucine calcium dihydrate or alpha-ketophenylalanine calcium monohydrate 浙江新和成股份有限公司 2017-03-22 CN disclosed
US-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US disclosed
US-20070027212-A1 ALPHA 2 DELTA LIGANDS FOR FIBROMYALGIA AND OTHER DISORDERS PFIZER INC 2007-02-01 US disclosed
US-6977278-B1 Cyanoacrylate compositions curable to flexible polymeric materials LOCTITE (R&D) LTD. (IE) 2005-12-20 US disclosed
WO-2004024467-A2 SURFACE-MOUNTING SYSTEM LOCTITE (R & D) LIMITED (IE) 2004-03-25 WO disclosed
EP-1360257-A1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS Loctite (R & D) Limited (IE) 2003-11-12 EP disclosed
WO-2002053666-A1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS LOCTITE (R & D) LIMITED (IE) 2002-07-11 WO disclosed
US-4261988-A ANTICHOLESTEROL AGENTS USED IN ANIMAL HUSBANDRY BAYER AKTIENGESELLSCHAFT (DE) 1981-04-14 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 (1 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-20070027212-A1 ALPHA 2 DELTA LIGANDS FOR FIBROMYALGIA AND OTHER DISORDERS OPRD1, HCRTR2, OPRL1 CYP2C9 1641/4885ALDH1A1 1174/4885TSHR 218/4885

“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.