SCHEMBL1362448

SCHEMBL1362448

CCCC(=O)OCC.Cc1ccnc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.53
TOP2A P11388 3/20 0.51
KDM4E B2RXH2 3/20 0.48
POLB P06746 2/20 0.48
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PDE5A O76074 1/20 0.44
ELANE P08246 1/20 0.44
LMNA P02545 2/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL7208445 0.83 CYP4F2 (0.60) KMT2AMAPTTOP2AKDM4EPOLB
Quinoline SCHEMBL28119523 0.81 TOP2A (0.52) KMT2AMAPTTOP2AKDM4EPOLB
Ether SCHEMBL2007543 0.80 LOXL2 (0.46) MAPTKDM4ERAB9AALDH1A1SMN1; SMN2
Alcohol SCHEMBL28501888 0.80 LOXL2 (0.48) MAPTKDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL5717650 0.80 CYP4F2 (0.63) KMT2AMAPTTOP2AKDM4EPOLB
SCHEMBL6174947 0.79 PKM (0.54) KMT2AMAPTTOP2AKDM4EPOLB
O-Xylene SCHEMBL30462319 0.78 CYP4F2 (0.54) KMT2AMAPTTOP2AKDM4ECYP4F2
SCHEMBL29578471 0.78 NCF1 (0.56) MAPTKDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL19745058 0.78 NCF1 (0.56) MAPTKDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL9815408 0.78 NCF1 (0.56) MAPTKDM4ERAB9AALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067602-B2 Asymmetric cyanine fluorescent dyes, compositions and their use in staining biological samples SHENZHEN MINDRAY BIO-MEDICAL ELECTRONICS CO., LTD. (CN) 2011-11-29 US disclosed
US-20090176270-A1 ASYMMETRIC CYANINE FLUORESCENT DYES, COMPOSITIONS AND THEIR USE IN STAINING BIOLOGICAL SAMPLES SHENZHEN MINDRAY BIO-MEDICAL ELECTRONICS CO., LTD. (CN) 2009-07-09 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-20090176270-A1 ASYMMETRIC CYANINE FLUORESCENT DYES, COMPOSITIONS AND THEIR USE IN STAINING BIOLOGICAL SAMPLES IK, CRY1, CRY2 KMT2A 1735/4885MAPT 2490/4885TOP2A 538/4885

“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.