SCHEMBL16865238

SCHEMBL16865238

C/C(=C\Br)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
TDP1 Q9NUW8 3/20 0.52
KMT2A Q03164 2/20 0.52
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HCAR2 Q8TDS4 1/20 0.51
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
CA12 O43570 1/20 0.45
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
CA4 P22748 1/20 0.45

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
SCHEMBL12922767 0.89 ALDH1A1 (0.59) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL873996 0.89 ALDH1A1 (0.63) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL4317881 0.89 ALDH1A1 (0.63) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL873995 0.89 ALDH1A1 (0.63) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL5289694 0.87 ALDH1A1 (0.61) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
Ammonia Solution, Strong SCHEMBL27722063 0.87 ALDH1A1 (0.61) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL29557745 0.86 ALDH1A1 (0.59) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL529429 0.86 ALDH1A1 (0.59) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL22716123 0.86 ALDH1A1 (0.59) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL27662139 0.86 ALDH1A1 (0.59) ALDH1A1TDP1KMT2AMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180002320-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-01-04 US disclosed
US-20180002319-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2018-01-04 US disclosed
US-9549555-B2 Macrocyclic picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2017-01-24 US disclosed
US-9247741-B2 Use of macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2016-02-02 US disclosed
US-20150183759-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC 2015-07-02 US disclosed
US-20150181867-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2015-07-02 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 (4 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-20180002320-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, CYP4F2 ALDH1A1 1338/4885TDP1 3279/4885KMT2A 3243/4885
US-20150183759-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CYP51A1, PFAS, AADAC ALDH1A1 1424/4885TDP1 2665/4885KMT2A 2871/4885
US-20150181867-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES FKBP14, CYP4F12, CYP1A2 ALDH1A1 1294/4885TDP1 3465/4885KMT2A 3287/4885
US-20180002319-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY AADAC, CYP51A1, PFAS ALDH1A1 1415/4885TDP1 2477/4885KMT2A 2813/4885

“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.