SCHEMBL3843370

SCHEMBL3843370

CCOC(=O)N1C2CCCCC21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 5/20 0.49
THRB P10828 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.43
CHRM1 P11229 3/20 0.42
TSHR P16473 2/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.38

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
SCHEMBL3838195 0.96 KMT2A (0.46) KMT2AALDH1A1THRBATML3MBTL1
SCHEMBL18589689 0.83 KMT2A (0.41) KMT2AALDH1A1THRBATML3MBTL1
SCHEMBL9484355 0.81 CHRM1 (0.51) KMT2AALDH1A1THRBATML3MBTL1
SCHEMBL29822414 0.78 CHRM1 (0.49) ALDH1A1THRBATML3MBTL1GAA
SCHEMBL9596068 0.78 PPM1B (0.46) KMT2AALDH1A1THRBATML3MBTL1
SCHEMBL10063523 0.77 CHRM1 (0.51) ALDH1A1THRBATML3MBTL1GAA
SCHEMBL17354962 0.77 CHRM1 (0.51) ALDH1A1THRBATML3MBTL1GAA
SCHEMBL304292 0.77 CHRM1 (0.55) KMT2AALDH1A1THRBATML3MBTL1
SCHEMBL13321596 0.77 CHRM1 (0.55) KMT2AALDH1A1THRBATML3MBTL1
SCHEMBL18618479 0.75 CHRM1 (0.38) KMT2AALDH1A1THRBATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1253152-B1 METHOD OF CONVERTING FUNCTIONAL GROUP THROUGH HALOGEN-METAL EXCHANGE REACTION BANYU PHARMA CO LTD (JP) 2009-11-04 EP disclosed
US-7439535-B2 Process for exchanging functional groups by halogen-metal exchange reaction BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-10-21 US disclosed
US-6946559-B2 Replacing a halogen atom with an electrophilic group (e.g., a formyl group) using either a mixture of an organomagnesium halide and an alkyllithium or a reaction product of the two, such as trialkylmagnesium lithium BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-09-20 US disclosed
US-20050156336-A1 Process for exchanging functional groups by halogen-metal exchange reaction MSD K.K. (JP) 2005-07-21 US disclosed
US-20050104233-A1 Method of substituent introduction through halogen-metal exchange reaction BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-05-19 US disclosed
EP-1510510-A1 METHOD OF SUBSTITUENT INTRODUCTION THROUGH HALOGEN-METAL EXCHANGE REACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-03-02 EP disclosed
US-20030130511-A1 Method of converting functional group through halogen-metal exchange reaction MSD K.K. (JP) 2003-07-10 US disclosed
EP-1253152-A1 METHOD OF CONVERTING FUNCTIONAL GROUP THROUGH HALOGEN-METAL EXCHANGE REACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-10-30 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 (3 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-20050156336-A1 Process for exchanging functional groups by halogen-metal exchange reaction SLC39A11, MLX, SLC39A14 KMT2A 2116/4885ALDH1A1 4684/4885THRB 909/4885
US-20050104233-A1 Method of substituent introduction through halogen-metal exchange reaction SLC39A11, SLC30A6, SLC39A3 KMT2A 129/4885ALDH1A1 1890/4885THRB 3981/4885
US-20030130511-A1 Method of converting functional group through halogen-metal exchange reaction MLX, HAX1, ZFX KMT2A 1634/4885ALDH1A1 4406/4885THRB 1215/4885

“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.