SCHEMBL43817

SCHEMBL43817

CCN(CC)c1ccc2cc(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCc3ccc(O)cc3)c(=O)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 7/20 0.59
AKR1B1 P15121 6/20 0.59
AKR1A1 P14550 2/20 0.52
CBR1 P16152 2/20 0.52
AKR1C4 P17516 2/20 0.52
AKR1C3 P42330 2/20 0.52
AKR1C2 P52895 2/20 0.52
AKR1C1 Q04828 2/20 0.52
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAOB P27338 3/20 0.49
ATM Q13315 2/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 2/20 0.49
USP2 O75604 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL25279702 0.89 AKR1B10 (0.75) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL15298966 0.89 AKR1B10 (0.74) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL25708668 0.88 AKR1B10 (0.77) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL17612195 0.86 ALDH1A1 (0.56) MEN1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL25235579 0.85 AKR1B10 (0.64) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL13248267 0.84 ALDH1A1 (0.58) MEN1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL13248272 0.83 ALDH1A1 (0.62) MEN1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL15298984 0.83 MAOB (0.63) MEN1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL25239509 0.83 AKR1B10 (0.60) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL13524273 0.82 ALDH1A1 (0.63) MEN1MAPTKMT2AALDH1A1SMN1; 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220178934-A1 SIGNALING CONJUGATES AND METHODS OF USE VENTANA MED SYST INC (US) 2022-06-09 US disclosed
US-20220021823-A1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY VENTANA MED SYST INC (US) 2022-01-20 US disclosed
US-11070750-B2 Digitally enhanced microscopy for multiplexed histology VENTANA MEDICAL SYSTEMS, INC. (US) 2021-07-20 US disclosed
EP-3764083-A1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY Ventana Medical Systems, Inc. (US) 2021-01-13 EP disclosed
EP-3764084-A1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY Ventana Medical Systems, Inc. (US) 2021-01-13 EP disclosed
US-20200358969-A1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY VENTANA MED SYST INC (US) 2020-11-12 US disclosed
US-20200333349-A1 SIGNALING CONJUGATES AND METHODS OF USE VENTANA MED SYST INC (US) 2020-10-22 US disclosed
US-20200326345-A1 SIGNALING CONJUGATES AND METHODS OF USE VENTANA MED SYST INC (US) 2020-10-15 US disclosed
US-20200319193-A1 SIGNALING CONJUGATES AND METHODS OF USE VENTANA MED SYST INC (US) 2020-10-08 US disclosed
US-10778913-B2 Digitally enhanced microscopy for multiplexed histology VENTANA MEDICAL SYSTEMS, INC. (US) 2020-09-15 US disclosed
US-20200249238-A1 SIGNALING CONJUGATES AND METHODS OF USE VENTANA MED SYST INC (US) 2020-08-06 US disclosed
EP-2972227-B1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY VENTANA MED SYST INC (US) 2020-05-06 EP disclosed
US-10557851-B2 Signaling conjugates and methods of use VENTANA MEDICAL SYSTEMS, INC. (US) 2020-02-11 US disclosed
EP-2831587-B1 SIGNALING CONJUGATES AND METHODS OF USE VENTANA MED SYST INC (US) 2018-05-16 EP disclosed
US-20140267672-A1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY VENTANA MEDICAL SYSTEMS, INC. 2014-09-18 US disclosed
WO-2014143155-A1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY VENTANA MEDICAL SYSTEMS, INC. (US) 2014-09-18 WO disclosed
EP-2588443-A2 HAPTEN CONJUGATES FOR TARGET DETECTION Ventana Medical Systems, Inc. (US) 2013-05-08 EP disclosed
US-20130109019-A1 HAPTEN CONJUGATES FOR TARGET DETECTION VENTANA MEDICAL SYSTEMS, INC. 2013-05-02 US disclosed
WO-2012003476-A2 HAPTEN CONJUGATES FOR TARGET DETECTION VENTANA MEDICAL SYSTEMS, INC. (US) 2012-01-05 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-20130109019-A1 HAPTEN CONJUGATES FOR TARGET DETECTION TYR, TH, TYRO3 AKR1B10 1505/4885AKR1B1 1986/4885AKR1A1 2007/4885

“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.