SCHEMBL5422437

SCHEMBL5422437

O=C1CCCCCN1OC(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.32
MLYCD O95822 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
TSHR P16473 2/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3566249 0.93 LMNA (0.37) SMN1; SMN2KMT2ALMNAALDH1A1TSHR
SCHEMBL4961794 0.81 SMN1; SMN2 (0.38) MITFSMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL27648209 0.80 MITF (0.39) MITFSMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL27670204 0.79 INMT (0.32) MLYCD
SCHEMBL28812249 0.78 MITF (0.40) MITFSMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL16112033 0.78 SMN1; SMN2 (0.40) MITFSMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL8104688 0.76 LMNA (0.40) MITFSMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL28310972 0.76 LMNA (0.31) LMNA
SCHEMBL14693810 0.76 TSHR (0.40) MITFSMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL11100555 0.76 KMT2A (0.36) MITFSMN1; SMN2KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107556241-A The method and apparatus that caprolactam is prepared by trifluoroacetic acid catalysis of pimelinketone oxime Beckmann rearrangement 沧州旭阳化工有限公司 2018-01-09 CN disclosed
CN-103288734-B Catalyst system for Beckmann rearrangement and method for preparing caprolactam thereof BEIJING ENERGY ENG TECHNOLOGIES CO LTD 2015-04-29 CN disclosed
US-7220869-B2 Brønsted acidic room temperature ionic liquids each having a N-protonated lactam cation and method for preparing the same LANZHOU INSTITUTE OF CHEMICAL PHYSICS CHINESE ACADEMY OF SCIENCES (CN) 2007-05-22 US disclosed
US-20070021604-A1 Bronsted acidic room temperature ionic liquids each having a N-protonated lactam cation and method for preparing the same LANZHOU INSTITUTE OF CHEMICAL PHYSICS CHINESE ACADEMY OF SCIENCES 2007-01-25 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-20070021604-A1 Bronsted acidic room temperature ionic liquids each having a N-protonated lactam cation and method for preparing the same SLC7A5, ALAD, SLC7A1 MITF 3945/4885SMN1; SMN2 1396/4885KMT2A 4486/4885

“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.