SCHEMBL6496987

SCHEMBL6496987

CN(C)c1cccc(C(=O)CCl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 4/20 0.52
TRPA1 O75762 1/20 0.52
MAPK1 P28482 1/20 0.52
GSK3B P49841 1/20 0.52
HIF1A Q16665 1/20 0.52
KDM4E B2RXH2 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
HSD17B10 Q99714 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
GFER P55789 1/20 0.50
POLB P06746 3/20 0.48
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 1/20 0.47
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL11108445 0.84 KMT2A (0.58) KMT2AL3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL941088 0.84 KMT2A (0.54) KMT2AL3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11874771 0.83 ALDH1A1 (0.51) KMT2AL3MBTL1ALDH1A1TRPA1MAPK1
SCHEMBL338575 0.82 KMT2A (0.53) KMT2AL3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL556208 0.82 KMT2A (0.53) KMT2AL3MBTL1ALDH1A1GSK3BKDM4E
Hydrochloric Acid SCHEMBL7312871 0.82 KMT2A (0.53) KMT2AL3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1983267 0.81 L3MBTL1 (0.51) KMT2AL3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5740022 0.81 KDM4E (0.52) KMT2AL3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL220517 0.79 KMT2A (0.53) KMT2AL3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7056764 0.79 HPGD (0.59) KMT2AL3MBTL1ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6888012-B2 Reducing an alpha -haloketone compound by asymmetric hydrogen transfer in presence of a group 9 transition metal compound having a substituted or unsubstituted cyclopentadienyl group and an optically active diamine compound AJINOMOTO CO., INC. (JP) 2005-05-03 US disclosed
US-20040082820-A1 Hydrogen transfer reduction; useful as intermediate for production of pharmaceuticals/agricultural chemicals AJINOMOTO CO., INC. (JP) 2004-04-29 US disclosed
EP-1346972-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE HALOHYDRIN COMPOUND Ajinomoto Co., Inc. (JP) 2003-09-24 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-20040082820-A1 Hydrogen transfer reduction; useful as intermediate for production of pharmaceuticals/agricultural chemicals DHPS, HDHD5, HYPK KMT2A 2111/4885L3MBTL1 4143/4885ALDH1A1 1488/4885

“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.