SCHEMBL271285

SCHEMBL271285

CCCCC(C)N(C=O)CC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
SLC15A1 P46059 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
FDPS P14324 1/20 0.31
DNM1 Q05193 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL269607 0.86 ALOX15 (0.32) TSHR
SCHEMBL11619234 0.78 ALOX15 (0.31) TSHR
SCHEMBL271540 0.78 TSHR (0.31) TSHRSMN1; SMN2DNM1
SCHEMBL277018 0.77 TSHR (0.50) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL12832679 0.77
SCHEMBL271158 0.77
SCHEMBL270377 0.76 TSHR (0.41) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL19773664 0.75 ADH1C (0.39) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL270723 0.73
SCHEMBL277272 0.71 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 81 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
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
US-20100099568-A1 Heteroaroyl-Substituted Serine Amides BASF SE (DE) 2010-04-22 US disclosed
US-7687435-B2 Benzoyl-substituted phenylalanineamides BASF AKTIENGESELLSCHAFT (DE) 2010-03-30 US disclosed
US-6165944-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
WO-2000073311-A2 TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-12-07 WO disclosed
WO-2000068210-A1 BENZOHETERO CYCLYLCYCLO HEXENONES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed
WO-2000059910-A2 TRICYCLIC PYRAZOLONE 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-2000034270-A1 THIOCHROMANOYLPYRAZOLONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-06-15 WO disclosed
WO-2000014069-A1 CYCLOHEXENONQUINOLINOYL-DERIVATIVES AS HERBICIDAL AGENTS BASF AKTIENGESELLSCHAFT (DE) 2000-03-16 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-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 (3 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-20100099568-A1 Heteroaroyl-Substituted Serine Amides SRM, ASNS, SRR TSHR 3238/4885SMN1; SMN2 4179/4885ADH1B 1360/4885
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.