SCHEMBL6494684

SCHEMBL6494684

COCC(O)(Br)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 2/20 0.40
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CHRM3 P20309 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CES1 P23141 1/20 0.37
HIF1A Q16665 1/20 0.36
CYP2D6 P10635 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
TTR P02766 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR1 P03372 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL19884937 0.80 SMN1; SMN2 (0.47) KCNN4ALDH1A1ALOX15CYP2C19CYP1A2
SCHEMBL7066085 0.79 MAPK1 (0.42) KCNN4ALDH1A1ALOX15MAPK1CES1
SCHEMBL28979286 0.78 ALDH1A1 (0.45) KCNN4ALDH1A1ALOX15CYP2C19CYP1A2
SCHEMBL670716 0.77 CES1 (0.40) KCNN4ALDH1A1ALOX15CYP2C19CYP1A2
SCHEMBL3205224 0.77 ALOX15 (0.43) KCNN4ALDH1A1ALOX15CYP2C19CYP1A2
SCHEMBL2368149 0.76 KCNN4 (0.36) KCNN4ALDH1A1ALOX15CYP2C19CYP1A2
SCHEMBL6490060 0.75 CYP2C19 (0.45) KCNN4ALDH1A1ALOX15CYP2C19CYP1A2
SCHEMBL235054 0.75 MAPK1 (0.42) KCNN4ALDH1A1ALOX15MAPK1CES1
SCHEMBL5972484 0.75 KIF11 (0.43) KCNN4ALDH1A1ALOX15MAPK1SMN1; SMN2
SCHEMBL28018766 0.75 CYP2C19 (0.43) KCNN4ALDH1A1ALOX15CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KCNN4 417/4885ALDH1A1 303/4885ALOX15 1510/4885
US-20050009886-A1 1,4-Dihydropyridine derivative with a guaiacoxypropanolamine and/or phenoxypropanolamine moiety ADRB3, ADRB1, ADRA1D KCNN4 39/4885ALDH1A1 707/4885ALOX15 849/4885

“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.