SCHEMBL6504114

SCHEMBL6504114

COCC(O)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 6/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
HPGD P15428 4/20 0.40
HTT P42858 2/20 0.40
TACR1 P25103 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX12 P18054 3/20 0.39
LMNA P02545 3/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL144972 0.78 TDP1 (0.52) MAPTTDP1ALDH1A1GAAHPGD
SCHEMBL347685 0.77 TDP1 (0.50) MAPTTDP1ALDH1A1GAASMN1; SMN2
SCHEMBL7561838 0.76 MAPT (0.49) MAPTTDP1ALDH1A1POLBGAA
SCHEMBL26616888 0.76 MAPT (0.49) MAPTTDP1ALDH1A1POLBGAA
Hydrochloric Acid SCHEMBL29730240 0.75 TDP1 (0.48) MAPTTDP1ALDH1A1GAASMN1; SMN2
SCHEMBL27928253 0.75 TDP1 (0.48) MAPTTDP1ALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL5962620 0.75 TDP1 (0.48) MAPTTDP1ALDH1A1GAASMN1; SMN2
SCHEMBL6049418 0.75 ALDH1A1 (0.46) MAPTTDP1ALDH1A1GAAHTT
Ammonia Solution, Strong SCHEMBL27928251 0.75 TDP1 (0.48) MAPTTDP1ALDH1A1GAASMN1; SMN2
SCHEMBL632881 0.74 MAPT (0.47) MAPTTDP1ALDH1A1HPGDTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020156109-A1 1,4-dihydropyridine derivative with a guaiacoxypropanolamine and/or phenoxypropanolamine moiety CHEN ING-JUN (TW) 2002-10-24 US claimed
US-20050009886-A1 1,4-Dihydropyridine derivative with a guaiacoxypropanolamine and/or phenoxypropanolamine moiety CHEN ING-JUN (TW) 2005-01-13 US disclosed
US-6794399-B2 BETA-ADRENORECEPTOR AND CALCIUM CHANNEL BLOCKING AGENT; INDUCED VASORELAXING EFFECT CHEN ING-JUN (TW) 2004-09-21 US disclosed
US-20020156109-A1 1,4-dihydropyridine derivative with a guaiacoxypropanolamine and/or phenoxypropanolamine moiety CHEN ING-JUN (TW) 2002-10-24 US disclosed
EP-1108710-A1 GUAIACOXYPROPANOLAMINES WITH ALPHA/BETA-ADRENERGIC BLOCKING ACTIVITY Cheng, Ing-Jun (TW) 2001-06-20 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 (2 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-20020156109-A1 1,4-dihydropyridine derivative with a guaiacoxypropanolamine and/or phenoxypropanolamine moiety ADRA1D, ADRA2C, ADRB3 MAPT 3761/4885TDP1 2961/4885ALDH1A1 303/4885
US-20050009886-A1 1,4-Dihydropyridine derivative with a guaiacoxypropanolamine and/or phenoxypropanolamine moiety ADRB3, ADRB1, ADRA1D MAPT 3000/4885TDP1 3173/4885ALDH1A1 707/4885

“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.