SCHEMBL7103779

SCHEMBL7103779

O=C(O)CCCCCN1CCCCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
CYP1A2 P05177 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
PTGS1 P23219 4/20 0.44
PTGS2 P35354 4/20 0.44
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.41
RAB9A P51151 2/20 0.41
PTGER4 P35408 1/20 0.41

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
SCHEMBL9151143 0.93 TSHR (0.47) KMT2APTGS1PTGS2MEN1GAA
SCHEMBL7416853 0.93 TSHR (0.47) KMT2APTGS1PTGS2MEN1GAA
SCHEMBL19513862 0.93 TSHR (0.47) KMT2APTGS1PTGS2MEN1GAA
SCHEMBL19513822 0.93 TSHR (0.47) KMT2APTGS1PTGS2MEN1GAA
SCHEMBL1627525 0.92 CYP1A2 (0.52) KMT2ACYP1A2MAPK1SMN1; SMN2L3MBTL1
SCHEMBL2944990 0.92 TSHR (0.49) KMT2APTGS1PTGS2MEN1TSHR
SCHEMBL7104946 0.87 TSHR (0.53) KMT2AL3MBTL1MEN1GAATSHR
SCHEMBL14828748 0.86 KMT2A (0.53) KMT2ACYP1A2MAPK1SMN1; SMN2L3MBTL1
SCHEMBL855306 0.86 TSHR (0.50) KMT2ACYP1A2MAPK1SMN1; SMN2MEN1
Oleic Acid SCHEMBL9404725 0.86 PPARG (0.55) KMT2ACYP1A2PTGS1TSHR

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-6660857-B2 Reuse of carpet wastes DSM N.V. (NL) 2003-12-09 US claimed
EP-1257532-B1 PROCESS FOR THE PREPARATION OF $g(e)-CAPROLACTAM DSM IP ASSETS BV (NL) 2003-09-10 EP claimed
US-20030065169-A1 Process for the preparation of epsilon-caprolactam DSM N.V. 2003-04-03 US claimed
EP-1257532-A1 PROCESS FOR THE PREPARATION OF $g(e)-CAPROLACTAM DSM N.V. (NL) 2002-11-20 EP claimed
WO-2001056984-A1 PROCESS FOR THE PREPARATION OF ε-CAPROLACTAM DSM N.V. (NL) 2001-08-09 WO claimed
EP-1122241-A1 Process for the preparation of epsilon-caprolactam DSM N.V. (NL) 2001-08-08 EP claimed
CN-1187324-C Proces for the preparation of & epsii-caprolactam DSM IP ASSETS BV (NL) 2005-02-02 CN disclosed
US-6660857-B2 Reuse of carpet wastes DSM N.V. (NL) 2003-12-09 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
CN-1419540-A Process for preparing epsilon-caprolactam DSM NV (NL) 2003-05-21 CN disclosed
US-20030065169-A1 Process for the preparation of epsilon-caprolactam DSM N.V. 2003-04-03 US 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-2001056984-A1 PROCESS FOR THE PREPARATION OF ε-CAPROLACTAM DSM N.V. (NL) 2001-08-09 WO 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
EP-1122241-A1 Process for the preparation of epsilon-caprolactam DSM N.V. (NL) 2001-08-08 EP 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 KMT2A 2947/4885CYP1A2 3399/4885MAPK1 4749/4885

“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.