SCHEMBL270377

SCHEMBL270377

CCCCC(C)N(C)C=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
SLC15A1 P46059 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
FDPS P14324 1/20 0.32
DNM1 Q05193 1/20 0.32

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
SCHEMBL728057 0.93 ADH1B (0.44) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL18998303 0.91 ADH1B (0.47) TSHRADH1BADH1CADH1AADH4
SCHEMBL270914 0.86
SCHEMBL277018 0.79 TSHR (0.50) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL23188220 0.78 GSR (0.33) CHRNB2CHRNB4CHRNA4
SCHEMBL270304 0.77 TSHR (0.32) TSHRSMN1; SMN2DNM1
SCHEMBL271285 0.76 TSHR (0.40) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL270121 0.75
SCHEMBL13857620 0.74
SCHEMBL277272 0.73 TSHR (0.48) TSHRSMN1; SMN2ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697309-B1 BENZOYL-SUBSTITUTED PHENYLALANINE AMIDES BASF SE (DE) 2014-04-23 EP disclosed
EP-1888509-B1 BENZOYL-SUBSTITUTED SERINE AMIDES BASF SE (DE) 2013-05-15 EP disclosed
US-8133851-B2 Heteroaroyl-substituted serine amides BASF SE (DE) 2012-03-13 US disclosed
US-20110318470-A1 Method For Improving Plant Health BASF SE (DE) 2011-12-29 US disclosed
US-20110209253-A1 Method for Improving Plant Health BASF SE (DE) 2011-08-25 US disclosed
EP-2348841-A1 METHOD FOR IMPROVING PLANT HEALTH BASF SE (DE) 2011-08-03 EP disclosed
EP-2348849-A1 METHOD FOR IMPROVING PLANT HEALTH BASF SE (DE) 2011-08-03 EP disclosed
US-7879761-B2 Herbicides; 1-{Methylcarbamoyl-[(1-methyl-3-trifluoromethyl-1H-pyrazol-4-carbonyl)amino]methyl}-allyl acetate; acylation of keto compounds and reduction of the ketone, or the serine derivative is reacted with a heteroaryl acid and then with a secondary or tertiary amine BASF AKTIENGESELLSCHAFT (DE) 2011-02-01 US disclosed
EP-2121583-B1 HETEROARYL-SUBSTITUTED SERINE AMIDES BASF SE (DE) 2010-09-22 EP disclosed
US-7786046-B2 Benzoyl-substituted serineamides BASF AKTIENGESELLSCHAFT (DE) 2010-08-31 US disclosed
WO-2000073311-A2 TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-12-07 WO disclosed
WO-2000059910-A2 TRICYCLIC PYRAZOLONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-10-12 WO disclosed
WO-2000059911-A2 TRICYCLIC CYCLOHEXANEDIONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-10-12 WO disclosed
WO-2000055158-A1 TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES USED AS A HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2000-09-21 WO disclosed
WO-2000035903-A2 THIOCHROMANOYL CYCLOHEXENONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-06-22 WO disclosed
WO-2000034270-A1 THIOCHROMANOYLPYRAZOLONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-06-15 WO disclosed
WO-1999059991-A1 PYRAZOLYLDIOXOTHIOCHROMANOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
WO-1999057111-A1 CYCLOHEXENONDIOXOTHIO CHROMANOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-11-11 WO disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO 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 (2 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-20110318470-A1 Method For Improving Plant Health BROX, PAH, GUSB TSHR 4140/4885SMN1; SMN2 2195/4885ADH1B 435/4885
US-20110209253-A1 Method for Improving Plant Health AADAT, AAAS, GUSB TSHR 4466/4885SMN1; SMN2 3435/4885ADH1B 718/4885

“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.