SCHEMBL6238819

SCHEMBL6238819

O=C(O)CCCCCNCCCCCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.67
LMNA P02545 3/20 0.67
NFKB1 P19838 1/20 0.67
PMP22 Q01453 1/20 0.67
PRMT1 Q99873 1/20 0.65
ADRA1A P35348 1/20 0.60
GPR84 Q9NQS5 7/20 0.55
FFAR1 O14842 2/20 0.55
FFAR4 Q5NUL3 2/20 0.55
ALDH1A1 P00352 4/20 0.53
SLC22A6 Q4U2R8 2/20 0.53
PPARG P37231 6/20 0.52
PPARD Q03181 6/20 0.52
PPARA Q07869 6/20 0.52
HDAC11 Q96DB2 5/20 0.52
TLR2 O60603 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 2/20 0.52
FABP4 P15090 2/20 0.52
ALOX15 P16050 2/20 0.52

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
SCHEMBL30714076 1.00 TSHR (0.67) TSHRLMNANFKB1PMP22PRMT1
SCHEMBL14632631 1.00 TSHR (0.67) TSHRLMNANFKB1PMP22PRMT1
SCHEMBL29172894 1.00 TSHR (0.67) TSHRLMNANFKB1PMP22PRMT1
SCHEMBL19643017 1.00 TSHR (0.67) TSHRLMNANFKB1PMP22PRMT1
SCHEMBL16713412 1.00 TSHR (0.67) TSHRLMNANFKB1PMP22PRMT1
SCHEMBL25409488 1.00 TSHR (0.67) TSHRLMNANFKB1PMP22PRMT1
SCHEMBL10596725 1.00 TSHR (0.67) TSHRLMNANFKB1PMP22PRMT1
SCHEMBL3630331 1.00 TSHR (0.67) TSHRLMNANFKB1PMP22PRMT1
SCHEMBL14632707 1.00 TSHR (0.67) TSHRLMNANFKB1PMP22PRMT1
SCHEMBL14782443 0.97 TSHR (0.63) TSHRLMNANFKB1PMP22PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4642221-A AROMATIC TRIAZOLES AND IMINODICARBOXYLIC ACID DERIVATIVES ATLANTIC RICHFIELD COMPANY (US) 1987-02-10 US claimed
EP-1124881-B1 CONTINUOUS POLYMERIZATION PROCESS FOR PREPARING POLYAMIDES FROM OMEGA-AMINONITRILES INVISTA TECH SARL (US) 2005-04-27 EP disclosed
US-6815527-B2 REACTING AMINONITRILE WITH WATER IN ORGANIC LIQUID DILUENT AT ELEVATED TEMPERATURE AND PRESSURE IN FLOW TUBE WITH SELECTED BRONSTED ACID CATALYST, FURTHER REACTING TO FORM AND SEPARATE GAS PHASE, MIXING REMAINDER WITH WATER TO FORM PRODUCT BASF AKTIENGESELLSCHAFT (DE) 2004-11-09 US disclosed
US-20040102604-A1 Continuous method fore producing polyamides from aminonitriles BASF AKTIENGESELLSCHAFT (DE) 2004-05-27 US disclosed
US-6660857-B2 Reuse of carpet wastes DSM N.V. (NL) 2003-12-09 US disclosed
EP-1257532-B1 PROCESS FOR THE PREPARATION OF $g(e)-CAPROLACTAM DSM IP ASSETS BV (NL) 2003-09-10 EP disclosed
EP-1335897-A1 PRODUCTION OF 6-AMINOCAPROIC ACID INVISTA Technologies S.à.r.l. (US) 2003-08-20 EP disclosed
US-20030065169-A1 Process for the preparation of epsilon-caprolactam DSM N.V. 2003-04-03 US disclosed
EP-1257532-A1 PROCESS FOR THE PREPARATION OF $g(e)-CAPROLACTAM DSM N.V. (NL) 2002-11-20 EP disclosed
WO-2002040440-A1 PRODUCTION OF 6-AMINOCAPROIC ACID E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-05-23 WO disclosed
US-6372939-B1 HYDROFORMYLATING 3-PENTENENITRILE IN PRESENCE OF CATALYST COMPRISING GROUP VIII ELEMENT TO PRODUCE MIXTURE OF FORMYLVALERONITRILES, OXIDIZING TO CYANOVALERIC ACIDS, CATALYTICALLY HYDROGENATING TO 6-AMINOCAPROIC ACID AND ISOMERS E.I. DU PONT DE NEMOURS AND COMPANY 2002-04-16 US disclosed
EP-1124881-A1 CONTINUOUS POLYMERIZATION PROCESS FOR PREPARING POLYAMIDES FROM OMEGA-AMINONITRILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-08-22 EP disclosed
WO-2001056984-A1 PROCESS FOR THE PREPARATION OF ε-CAPROLACTAM DSM N.V. (NL) 2001-08-09 WO disclosed
EP-1122241-A1 Process for the preparation of epsilon-caprolactam DSM N.V. (NL) 2001-08-08 EP disclosed
US-6201096-B1 SUCH AS 6-AMINOCAPRONITRILE, WHICH IS INTRODUCED AT THE TOP OF A VERTICAL MULTISTAGE REACTOR BEING SWEPT COUNTERCURRENTLY WITH STEAM AND POLYAMIDE SUCH AS NYLON 6 IS RECOVERED NEAR THE BOTTOM OF THE REACTOR; LOW UNREACTED NITRILE END GROUPS E. I. DU PONT DE NEMOURS AND COMPANY 2001-03-13 US disclosed
WO-2000024808-A1 CONTINUOUS POLYMERIZATION PROCESS FOR PREPARING POLYAMIDES FROM OMEGA-AMINONITRILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-04 WO disclosed
EP-0918547-A2 RADIOLABELED ANNEXINS NEORX CORPORATION (US) 1999-06-02 EP disclosed
WO-1998004294-A2 RADIOLABELED ANNEXINS NEORX CORPORATION (US) 1998-02-05 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 (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-20030065169-A1 Process for the preparation of epsilon-caprolactam MCCC2, ACMSD, PCCA TSHR 445/4885LMNA 1667/4885NFKB1 1521/4885

“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.